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

Systemtic Name: 3-[[4-[2-(dimethylaminomethyl)phenyl]phenyl]-(2-oxidanylideneazepan-3-yl)amino]benzenecarbonitrile Openeye Name: 3-[4-[2-(dimethylaminomethyl)phenyl]-N-(2-oxoazepan-3-yl)anilino]benzonitrile CAS Name: 3-[4-[2-(dimethylaminomethyl)phenyl]-N-(2-oxo-3-azepanyl)anilino]benzonitrile IUPAC Name: 3-[4-[2-(dimethylaminomethyl)phenyl]-N-(2-oxoazepan-3-yl)anilino]benzonitrile Traditional Name: 3-[4-[2-(dimethylaminomethyl)phenyl]-N-(2-ketoazepan-3-yl)anilino]benzonitrile Formula: C28H30N4O MolecularWeight: 438.564

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1C2=CC=C(C=C2)N(C3CCCCNC3=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

CN(C)CC1=CC=CC=C1C2=CC=C(C=C2)N(C3CCCCNC3=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C28H30N4O/c1-31(2)20-23-9-3-4-11-26(23)22-13-15-24(16-14-22)32(25-10-7-8-21(18-25)19-29)27-12-5-6-17-30-28(27)33/h3-4,7-11,13-16,18,27H,5-6,12,17,20H2,1-2H3,(H,30,33)