(3-ethoxy-4-methoxy-phenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone

Systemtic Name: (3-ethoxy-4-methoxy-phenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Openeye Name: (3-ethoxy-4-methoxy-phenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone CAS Name: (3-ethoxy-4-methoxyphenyl)-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]methanone IUPAC Name: (3-ethoxy-4-methoxyphenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Traditional Name: (3-ethoxy-4-methoxy-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:

CCOC1=C(C=CC(=C1)C(=O)N2CCCCCC2C3=CC=CN3C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)N2CCCCCC2C3=CC=CN3C)OC

InChI

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