(E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)-1-[4-(4-pyridyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-(4-pyridin-4-yl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)-1-[4-(4-pyridyl)piperazino]prop-2-en-1-one Formula: C20H22ClN3O3 MolecularWeight: 387.85998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)N2CCN(CC2)C3=CC=NC=C3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=NC=C3)Cl)OC

InChI

InChI=1S/C20H22ClN3O3/c1-26-18-14-15(13-17(21)20(18)27-2)3-4-19(25)24-11-9-23(10-12-24)16-5-7-22-8-6-16/h3-8,13-14H,9-12H2,1-2H3/b4-3+