(E)-3-(4-ethoxyphenyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-ethoxyphenyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-ethoxyphenyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one CAS Name: (E)-3-(4-ethoxyphenyl)-1-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-2-propen-1-one IUPAC Name: (E)-3-(4-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-p-phenetyl-prop-2-en-1-one Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2/c1-3-26-19-13-10-18(11-14-19)12-15-22(25)24-17-6-4-5-8-21(24)20-9-7-16-23(20)2/h7,9-16,21H,3-6,8,17H2,1-2H3/b15-12+