(E)-3-(2-methoxy-5-methyl-phenyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(2-methoxy-5-methyl-phenyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2-methoxy-5-methyl-phenyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2-methoxy-5-methylphenyl)-1-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-2-propen-1-one IUPAC Name: (E)-3-(2-methoxy-5-methylphenyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2-methoxy-5-methyl-phenyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C=CC(=O)N2CCCCCC2C3=CC=CN3C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)/C=C/C(=O)N2CCCCCC2C3=CC=CN3C

InChI

InChI=1S/C22H28N2O2/c1-17-10-12-21(26-3)18(16-17)11-13-22(25)24-15-6-4-5-8-20(24)19-9-7-14-23(19)2/h7,9-14,16,20H,4-6,8,15H2,1-3H3/b13-11+