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

Systemtic Name: (E)-3-(3-fluoranyl-4-methoxy-phenyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-fluoro-4-methoxy-phenyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-fluoro-4-methoxyphenyl)-1-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-2-propen-1-one IUPAC Name: (E)-3-(3-fluoro-4-methoxyphenyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-fluoro-4-methoxy-phenyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]prop-2-en-1-one Formula: C21H25FN2O2 MolecularWeight: 356.433803

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C=CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)/C=C/C3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H25FN2O2/c1-23-13-6-8-18(23)19-7-4-3-5-14-24(19)21(25)12-10-16-9-11-20(26-2)17(22)15-16/h6,8-13,15,19H,3-5,7,14H2,1-2H3/b12-10+