3-[4-[3-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)-3-oxidanylidene-propyl]piperazin-1-yl]benzenecarbonitrile hydrochloride

Systemtic Name: 3-[4-[3-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)-3-oxidanylidene-propyl]piperazin-1-yl]benzenecarbonitrile hydrochloride Openeye Name: 3-[4-[3-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)-3-oxo-propyl]piperazin-1-yl]benzonitrile hydrochloride CAS Name: 3-[4-[3-[5-methyl-1-(2-pyrimidinyl)-4-pyrazolyl]-3-oxopropyl]-1-piperazinyl]benzonitrile hydrochloride IUPAC Name: 3-[4-[3-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-oxopropyl]piperazin-1-yl]benzonitrile hydrochloride Traditional Name: 3-[4-[3-keto-3-[5-methyl-1-(2-pyrimidyl)pyrazol-4-yl]propyl]piperazino]benzonitrile hydrochloride Formula: C22H24ClN7O MolecularWeight: 437.92526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC=N2)C(=O)CCN3CCN(CC3)C4=CC=CC(=C4)C#N.Cl

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC=N2)C(=O)CCN3CCN(CC3)C4=CC=CC(=C4)C#N.Cl

InChI

InChI=1S/C22H23N7O.ClH/c1-17-20(16-26-29(17)22-24-7-3-8-25-22)21(30)6-9-27-10-12-28(13-11-27)19-5-2-4-18(14-19)15-23;/h2-5,7-8,14,16H,6,9-13H2,1H3;1H