N-[1-[2-[(2-aminophenyl)methylamino]-2-oxidanylidene-ethyl]-2-oxidanylidene-azepan-3-yl]-4-phenyl-benzamide

Systemtic Name: N-[1-[2-[(2-aminophenyl)methylamino]-2-oxidanylidene-ethyl]-2-oxidanylidene-azepan-3-yl]-4-phenyl-benzamide Openeye Name: N-[1-[2-[(2-aminophenyl)methylamino]-2-oxo-ethyl]-2-oxo-azepan-3-yl]-4-phenyl-benzamide CAS Name: N-[1-[2-[(2-aminophenyl)methylamino]-2-oxoethyl]-2-oxo-3-azepanyl]-4-phenylbenzamide IUPAC Name: N-[1-[2-[(2-aminophenyl)methylamino]-2-oxoethyl]-2-oxoazepan-3-yl]-4-phenylbenzamide Traditional Name: N-[1-[2-[(2-aminobenzyl)amino]-2-keto-ethyl]-2-keto-azepan-3-yl]-4-phenyl-benzamide Formula: C28H30N4O3 MolecularWeight: 470.5628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)NCC4=CC=CC=C4N

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)NCC4=CC=CC=C4N

InChI

InChI=1S/C28H30N4O3/c29-24-11-5-4-10-23(24)18-30-26(33)19-32-17-7-6-12-25(28(32)35)31-27(34)22-15-13-21(14-16-22)20-8-2-1-3-9-20/h1-5,8-11,13-16,25H,6-7,12,17-19,29H2,(H,30,33)(H,31,34)