(E)-3-(2-ethoxyphenyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=CC(=O)N2CCCCCC2C3=CC=CN3C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2/c1-3-26-21-13-7-6-10-18(21)14-15-22(25)24-17-8-4-5-11-20(24)19-12-9-16-23(19)2/h6-7,9-10,12-16,20H,3-5,8,11,17H2,1-2H3/b15-14+