(E)-1-[2-(4-methoxyphenyl)azepan-1-yl]-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[2-(4-methoxyphenyl)azepan-1-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[2-(4-methoxyphenyl)azepan-1-yl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[2-(4-methoxyphenyl)-1-azepanyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[2-(4-methoxyphenyl)azepan-1-yl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[2-(4-methoxyphenyl)azepan-1-yl]-3-(2-thienyl)prop-2-en-1-one Formula: C20H23NO2S MolecularWeight: 341.46712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C=CC3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C20H23NO2S/c1-23-17-10-8-16(9-11-17)19-7-3-2-4-14-21(19)20(22)13-12-18-6-5-15-24-18/h5-6,8-13,15,19H,2-4,7,14H2,1H3/b13-12+