(E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-1-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-2-propen-1-one IUPAC Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one Formula: C24H32N2O3 MolecularWeight: 396.52248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=CC(=O)N2CCCCCC2C3=CC=CN3C)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)/C=C/C(=O)N2CCCCCC2C3=CC=CN3C)OC

InChI

InChI=1S/C24H32N2O3/c1-18(2)29-22-13-11-19(17-23(22)28-4)12-14-24(27)26-16-7-5-6-9-21(26)20-10-8-15-25(20)3/h8,10-15,17-18,21H,5-7,9,16H2,1-4H3/b14-12+