N-[(2-chlorophenyl)methyl]-4-(3-methylphenyl)carbonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-4-(3-methylphenyl)carbonyl-1,4-diazepane-1-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-4-[(3-methylphenyl)-oxomethyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2-chlorobenzyl)-4-m-toluoyl-1,4-diazepane-1-carboxamide Formula: C21H24ClN3O2 MolecularWeight: 385.88716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)C(=O)NCC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)C(=O)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H24ClN3O2/c1-16-6-4-8-17(14-16)20(26)24-10-5-11-25(13-12-24)21(27)23-15-18-7-2-3-9-19(18)22/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,23,27)