1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-(methylamino)-7-phenyl-azepan-2-one

Systemtic Name: 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-(methylamino)-7-phenyl-azepan-2-one Openeye Name: 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-(methylamino)-7-phenyl-azepan-2-one CAS Name: 1-[(3,3-dimethyl-1-cyclopenta-1,4-dienyl)methyl]-3-(methylamino)-7-phenyl-2-azepanone IUPAC Name: 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-(methylamino)-7-phenylazepan-2-one Traditional Name: 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-(methylamino)-7-phenyl-azepan-2-one Formula: C21H28N2O MolecularWeight: 324.45982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(=C1)CN2C(CCCC(C2=O)NC)C3=CC=CC=C3)C

Isomeric SMILES

CC1(C=CC(=C1)CN2C(CCCC(C2=O)NC)C3=CC=CC=C3)C

InChI

InChI=1S/C21H28N2O/c1-21(2)13-12-16(14-21)15-23-19(17-8-5-4-6-9-17)11-7-10-18(22-3)20(23)24/h4-6,8-9,12-14,18-19,22H,7,10-11,15H2,1-3H3