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

Systemtic Name: 3-[(4-bromophenyl)-(2-oxidanylideneazepan-3-yl)amino]benzenecarbonitrile Openeye Name: 3-(4-bromo-N-(2-oxoazepan-3-yl)anilino)benzonitrile CAS Name: 3-(4-bromo-N-(2-oxo-3-azepanyl)anilino)benzonitrile IUPAC Name: 3-(4-bromo-N-(2-oxoazepan-3-yl)anilino)benzonitrile Traditional Name: 3-(4-bromo-N-(2-ketoazepan-3-yl)anilino)benzonitrile Formula: C19H18BrN3O MolecularWeight: 384.26972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3O/c20-15-7-9-16(10-8-15)23(17-5-3-4-14(12-17)13-21)18-6-1-2-11-22-19(18)24/h3-5,7-10,12,18H,1-2,6,11H2,(H,22,24)