4-(3-methylphenyl)carbonyl-N-(phenylmethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(3-methylphenyl)carbonyl-N-(phenylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-benzyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(3-methylphenyl)-oxomethyl]-N-(phenylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-benzyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide Traditional Name: N-benzyl-4-m-toluoyl-1,4-diazepane-1-carboxamide Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2/c1-17-7-5-10-19(15-17)20(25)23-11-6-12-24(14-13-23)21(26)22-16-18-8-3-2-4-9-18/h2-5,7-10,15H,6,11-14,16H2,1H3,(H,22,26)