4-[(3,4-dimethylphenyl)methyl]-N-phenyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[(3,4-dimethylphenyl)methyl]-N-phenyl-1,4-diazepane-1-carboxamide Openeye Name: 4-[(3,4-dimethylphenyl)methyl]-N-phenyl-1,4-diazepane-1-carboxamide CAS Name: 4-[(3,4-dimethylphenyl)methyl]-N-phenyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(3,4-dimethylphenyl)methyl]-N-phenyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(3,4-dimethylbenzyl)-N-phenyl-1,4-diazepane-1-carboxamide Formula: C21H27N3O MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2CCCN(CC2)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)CN2CCCN(CC2)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3O/c1-17-9-10-19(15-18(17)2)16-23-11-6-12-24(14-13-23)21(25)22-20-7-4-3-5-8-20/h3-5,7-10,15H,6,11-14,16H2,1-2H3,(H,22,25)