azepan-1-yl-[1-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[2,5-dimethyl-1-(o-tolyl)pyrrole-3-carbonyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[[2,5-dimethyl-1-(2-methylphenyl)-3-pyrrolyl]-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[2,5-dimethyl-1-(o-tolyl)pyrrole-3-carbonyl]-4-piperidyl]methanone Formula: C26H35N3O2 MolecularWeight: 421.575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=C2C)C(=O)N3CCC(CC3)C(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=C2C)C(=O)N3CCC(CC3)C(=O)N4CCCCCC4)C

InChI

InChI=1S/C26H35N3O2/c1-19-10-6-7-11-24(19)29-20(2)18-23(21(29)3)26(31)28-16-12-22(13-17-28)25(30)27-14-8-4-5-9-15-27/h6-7,10-11,18,22H,4-5,8-9,12-17H2,1-3H3