4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[2-(benzylamino)-2-oxo-ethyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[2-oxo-2-[(phenylmethyl)amino]ethyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[2-(benzylamino)-2-oxoethyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[2-(benzylamino)-2-keto-ethyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide Formula: C27H30N4O2 MolecularWeight: 442.5527

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2C3=CC=CC=C3)CC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2C3=CC=CC=C3)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C27H30N4O2/c32-26(28-20-22-10-3-1-4-11-22)21-30-16-9-17-31(19-18-30)27(33)29-25-15-8-7-14-24(25)23-12-5-2-6-13-23/h1-8,10-15H,9,16-21H2,(H,28,32)(H,29,33)