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

Systemtic Name: (E)-3-[1-(phenylmethyl)pyrazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(1-benzylpyrazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1-benzylpyrazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C=CC3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)/C=C/C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N6O/c28-20(25-11-13-26(14-12-25)21-22-9-4-10-23-21)8-7-19-15-24-27(17-19)16-18-5-2-1-3-6-18/h1-10,15,17H,11-14,16H2/b8-7+