(E)-3-[3-chloranyl-5-methoxy-4-(2-methylpropoxy)phenyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[3-chloranyl-5-methoxy-4-(2-methylpropoxy)phenyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-4-isobutoxy-5-methoxy-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-4-isobutoxy-5-methoxy-phenyl)-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C22H27ClN4O3 MolecularWeight: 430.92778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1Cl)C=CC(=O)N2CCN(CC2)C3=NC=CC=N3)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1Cl)/C=C/C(=O)N2CCN(CC2)C3=NC=CC=N3)OC

InChI

InChI=1S/C22H27ClN4O3/c1-16(2)15-30-21-18(23)13-17(14-19(21)29-3)5-6-20(28)26-9-11-27(12-10-26)22-24-7-4-8-25-22/h4-8,13-14,16H,9-12,15H2,1-3H3/b6-5+