1-(4-Methylphenyl)-4-[(10R,15S)-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H31N3O
Molecular Weight	389.5331
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(4-Methylphenyl)-4-[(10R,15S)-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one

Structure Search

SMILES

CN1CCN2[C@H]3CCN(CCCC(=O)C4=CC=C(C)C=C4)C[C@H]3C5=C2C1=CC=C5

InChI

InChIKey=ZKGRDAVYSFBMGU-VXKWHMMOSA-N

InChI=1S/C25H31N3O/c1-18-8-10-19(11-9-18)24(29)7-4-13-27-14-12-22-21(17-27)20-5-3-6-23-25(20)28(22)16-15-26(23)2/h3,5-6,8-11,21-22H,4,7,12-17H2,1-2H3/t21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H31N3O
Molecular Weight	389.5331
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:46:18 GMT 2025` Edited by `admin` on `Wed Apr 02 19:46:18 GMT 2025`
Record UNII	KV5B5A8GMK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-(4-Methylphenyl)-4-[(10R,15S)-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one

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English

Code System Code Type Description

FDA UNII

KV5B5A8GMK

Created by admin on Wed Apr 02 19:46:18 GMT 2025 , Edited by admin on Wed Apr 02 19:46:18 GMT 2025

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PUBCHEM

58806125

Created by admin on Wed Apr 02 19:46:18 GMT 2025 , Edited by admin on Wed Apr 02 19:46:18 GMT 2025

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