2-[[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenyl]methyl]-4-(3-methylimidazol-4-yl)carbonyl-benzenecarbonitrile

Systemtic Name: 2-[[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenyl]methyl]-4-(3-methylimidazol-4-yl)carbonyl-benzenecarbonitrile Openeye Name: 2-[[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)phenyl]methyl]-4-(3-methylimidazole-4-carbonyl)benzonitrile CAS Name: 2-[[3-(3-ethyl-1-methyl-2-oxo-3-azepanyl)phenyl]methyl]-4-[(3-methyl-4-imidazolyl)-oxomethyl]benzonitrile IUPAC Name: 2-[[3-(3-ethyl-1-methyl-2-oxoazepan-3-yl)phenyl]methyl]-4-(3-methylimidazole-4-carbonyl)benzonitrile Traditional Name: 2-[3-(3-ethyl-2-keto-1-methyl-azepan-3-yl)benzyl]-4-(3-methylimidazole-4-carbonyl)benzonitrile Formula: C28H30N4O2 MolecularWeight: 454.5634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)CC3=C(C=CC(=C3)C(=O)C4=CN=CN4C)C#N

Isomeric SMILES

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)CC3=C(C=CC(=C3)C(=O)C4=CN=CN4C)C#N

InChI

InChI=1S/C28H30N4O2/c1-4-28(12-5-6-13-31(2)27(28)34)24-9-7-8-20(15-24)14-23-16-21(10-11-22(23)17-29)26(33)25-18-30-19-32(25)3/h7-11,15-16,18-19H,4-6,12-14H2,1-3H3