3-[[4-(2-methanoylphenyl)phenyl]-(2-oxidanylideneazepan-3-yl)amino]benzenecarbonitrile

Systemtic Name: 3-[[4-(2-methanoylphenyl)phenyl]-(2-oxidanylideneazepan-3-yl)amino]benzenecarbonitrile Openeye Name: 3-[4-(2-formylphenyl)-N-(2-oxoazepan-3-yl)anilino]benzonitrile CAS Name: 3-[4-(2-formylphenyl)-N-(2-oxo-3-azepanyl)anilino]benzonitrile IUPAC Name: 3-[4-(2-formylphenyl)-N-(2-oxoazepan-3-yl)anilino]benzonitrile Traditional Name: 3-[4-(2-formylphenyl)-N-(2-ketoazepan-3-yl)anilino]benzonitrile Formula: C26H23N3O2 MolecularWeight: 409.47972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(C2=CC=C(C=C2)C3=CC=CC=C3C=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCNC(=O)C(C1)N(C2=CC=C(C=C2)C3=CC=CC=C3C=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H23N3O2/c27-17-19-6-5-8-23(16-19)29(25-10-3-4-15-28-26(25)31)22-13-11-20(12-14-22)24-9-2-1-7-21(24)18-30/h1-2,5-9,11-14,16,18,25H,3-4,10,15H2,(H,28,31)