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

Systemtic Name: 4-(3-cyanophenyl)carbonyl-N-(phenylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-benzyl-4-(3-cyanobenzoyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(3-cyanophenyl)-oxomethyl]-N-(phenylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-benzyl-4-(3-cyanobenzoyl)-1,4-diazepane-1-carboxamide Traditional Name: N-benzyl-4-(3-cyanobenzoyl)-1,4-diazepane-1-carboxamide Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCC2=CC=CC=C2)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCC2=CC=CC=C2)C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H22N4O2/c22-15-18-8-4-9-19(14-18)20(26)24-10-5-11-25(13-12-24)21(27)23-16-17-6-2-1-3-7-17/h1-4,6-9,14H,5,10-13,16H2,(H,23,27)