(3,5-dimethoxy-4-methyl-phenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone

Systemtic Name: (3,5-dimethoxy-4-methyl-phenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Openeye Name: (3,5-dimethoxy-4-methyl-phenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone CAS Name: (3,5-dimethoxy-4-methylphenyl)-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]methanone IUPAC Name: (3,5-dimethoxy-4-methylphenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Traditional Name: (3,5-dimethoxy-4-methyl-phenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Formula: C21H28N2O3 MolecularWeight: 356.45862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(=O)N2CCCCCC2C3=CC=CN3C)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(=O)N2CCCCCC2C3=CC=CN3C)OC

InChI

InChI=1S/C21H28N2O3/c1-15-19(25-3)13-16(14-20(15)26-4)21(24)23-12-7-5-6-9-18(23)17-10-8-11-22(17)2/h8,10-11,13-14,18H,5-7,9,12H2,1-4H3