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

Systemtic Name: (E)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-thiophen-3-yl-prop-2-en-1-one Openeye Name: (E)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-(3-thienyl)prop-2-en-1-one CAS Name: (E)-1-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-3-(3-thiophenyl)-2-propen-1-one IUPAC Name: (E)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-thiophen-3-ylprop-2-en-1-one Traditional Name: (E)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-(3-thienyl)prop-2-en-1-one Formula: C18H22N2OS MolecularWeight: 314.44508

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C=CC3=CSC=C3

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)/C=C/C3=CSC=C3

InChI

InChI=1S/C18H22N2OS/c1-19-11-5-7-16(19)17-6-3-2-4-12-20(17)18(21)9-8-15-10-13-22-14-15/h5,7-11,13-14,17H,2-4,6,12H2,1H3/b9-8+