4,4?-[1,4-Piperazinediylbis(methylene)]bis[N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide]

Details

Stereochemistry	ACHIRAL
Molecular Formula	C52H48N12O2
Molecular Weight	873.0167
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4,4?-[1,4-Piperazinediylbis(methylene)]bis[N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide]

Structure Search

SMILES

CC1=CC=C(NC(=O)C2=CC=C(CN3CCN(CC4=CC=C(C=C4)C(=O)NC5=CC(NC6=NC(=CC=N6)C7=CN=CC=C7)=C(C)C=C5)CC3)C=C2)C=C1NC8=NC=CC(=N8)C9=CN=CC=C9

InChI

InChIKey=DZHKYOWYCVBDPW-UHFFFAOYSA-N

InChI=1S/C52H48N12O2/c1-35-7-17-43(29-47(35)61-51-55-23-19-45(59-51)41-5-3-21-53-31-41)57-49(65)39-13-9-37(10-14-39)33-63-25-27-64(28-26-63)34-38-11-15-40(16-12-38)50(66)58-44-18-8-36(2)48(30-44)62-52-56-24-20-46(60-52)42-6-4-22-54-32-42/h3-24,29-32H,25-28,33-34H2,1-2H3,(H,57,65)(H,58,66)(H,55,59,61)(H,56,60,62)

HIDE SMILES / InChI

Molecular Formula	C52H48N12O2
Molecular Weight	873.0167
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:18:33 GMT 2025` Edited by `admin` on `Wed Apr 02 17:18:33 GMT 2025`
Record UNII	3UX2VT8LAN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Benzamide, 4,4?-[1,4-piperazinediylbis(methylene)]bis[N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-

Preferred Name

English

4,4?-[1,4-Piperazinediylbis(methylene)]bis[N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide]

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30747557

Created by admin on Wed Apr 02 17:18:33 GMT 2025 , Edited by admin on Wed Apr 02 17:18:33 GMT 2025

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FDA UNII

3UX2VT8LAN

Created by admin on Wed Apr 02 17:18:33 GMT 2025 , Edited by admin on Wed Apr 02 17:18:33 GMT 2025

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CAS

1365802-18-1

Created by admin on Wed Apr 02 17:18:33 GMT 2025 , Edited by admin on Wed Apr 02 17:18:33 GMT 2025

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PUBCHEM

71315751

Created by admin on Wed Apr 02 17:18:33 GMT 2025 , Edited by admin on Wed Apr 02 17:18:33 GMT 2025

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