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

Systemtic Name: (E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C19H21ClN4O3 MolecularWeight: 388.84804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)N2CCN(CC2)C3=NC=CC=N3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)N2CCN(CC2)C3=NC=CC=N3)Cl)OC

InChI

InChI=1S/C19H21ClN4O3/c1-26-16-13-14(12-15(20)18(16)27-2)4-5-17(25)23-8-10-24(11-9-23)19-21-6-3-7-22-19/h3-7,12-13H,8-11H2,1-2H3/b5-4+