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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H27N5O
Molecular Weight 389.4934
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of [(7S)-Hexahydro-7-methyl-4-(phenylmethyl)-1H-1,4-diazepin-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone

SMILES

C[C@H]1CCN(CC2=CC=CC=C2)CCN1C(=O)C3=CC(C)=CC=C3N4N=CC=N4

InChI

InChIKey=DRWURUAZLCYLTK-IBGZPJMESA-N
InChI=1S/C23H27N5O/c1-18-8-9-22(28-24-11-12-25-28)21(16-18)23(29)27-15-14-26(13-10-19(27)2)17-20-6-4-3-5-7-20/h3-9,11-12,16,19H,10,13-15,17H2,1-2H3/t19-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(S)-(4-Benzyl-7-methyl-1,4-diazepan-1-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone
Preferred Name English
[(7S)-Hexahydro-7-methyl-4-(phenylmethyl)-1H-1,4-diazepin-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone
Systematic Name English
Methanone, [(7S)-hexahydro-7-methyl-4-(phenylmethyl)-1H-1,4-diazepin-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]-
Systematic Name English
Code System Code Type Description
FDA UNII
9R6BX7EFS6
Created by admin on Wed Apr 02 21:08:32 GMT 2025 , Edited by admin on Wed Apr 02 21:08:32 GMT 2025
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PUBCHEM
121402990
Created by admin on Wed Apr 02 21:08:32 GMT 2025 , Edited by admin on Wed Apr 02 21:08:32 GMT 2025
PRIMARY
CAS
1644457-29-3
Created by admin on Wed Apr 02 21:08:32 GMT 2025 , Edited by admin on Wed Apr 02 21:08:32 GMT 2025
PRIMARY