1-(azepan-1-yl)-3-(2-methylphenyl)-3-pyrrol-1-yl-propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-(2-methylphenyl)-3-pyrrol-1-yl-propan-1-one Openeye Name: 1-(azepan-1-yl)-3-(o-tolyl)-3-pyrrol-1-yl-propan-1-one CAS Name: 1-(1-azepanyl)-3-(2-methylphenyl)-3-(1-pyrrolyl)-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropan-1-one Traditional Name: 1-(azepan-1-yl)-3-(o-tolyl)-3-pyrrol-1-yl-propan-1-one Formula: C20H26N2O MolecularWeight: 310.43324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(=O)N2CCCCCC2)N3C=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C(CC(=O)N2CCCCCC2)N3C=CC=C3

InChI

InChI=1S/C20H26N2O/c1-17-10-4-5-11-18(17)19(21-12-8-9-13-21)16-20(23)22-14-6-2-3-7-15-22/h4-5,8-13,19H,2-3,6-7,14-16H2,1H3