(E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C22H23ClN6O MolecularWeight: 422.91062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N2CCN(CC2)C3=NC=CC=N3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)N2CCN(CC2)C3=NC=CC=N3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H23ClN6O/c1-17-19(21(23)29(26-17)16-18-6-3-2-4-7-18)8-9-20(30)27-12-14-28(15-13-27)22-24-10-5-11-25-22/h2-11H,12-16H2,1H3/b9-8+