2-methyl-1-(3-methyl-4-phenyl-5-pyrimidin-2-yl-pyrazol-4-yl)-3-phenyl-2-piperazin-1-yl-propan-1-one hydrochloride

Systemtic Name: 2-methyl-1-(3-methyl-4-phenyl-5-pyrimidin-2-yl-pyrazol-4-yl)-3-phenyl-2-piperazin-1-yl-propan-1-one hydrochloride Openeye Name: 2-methyl-1-(3-methyl-4-phenyl-5-pyrimidin-2-yl-pyrazol-4-yl)-3-phenyl-2-piperazin-1-yl-propan-1-one hydrochloride CAS Name: 2-methyl-1-[3-methyl-4-phenyl-5-(2-pyrimidinyl)-4-pyrazolyl]-3-phenyl-2-(1-piperazinyl)-1-propanone hydrochloride IUPAC Name: 2-methyl-1-(3-methyl-4-phenyl-5-pyrimidin-2-ylpyrazol-4-yl)-3-phenyl-2-piperazin-1-ylpropan-1-one hydrochloride Traditional Name: 2-methyl-1-[3-methyl-4-phenyl-5-(2-pyrimidyl)pyrazol-4-yl]-3-phenyl-2-piperazino-propan-1-one hydrochloride Formula: C28H31ClN6O MolecularWeight: 503.03834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C1(C2=CC=CC=C2)C(=O)C(C)(CC3=CC=CC=C3)N4CCNCC4)C5=NC=CC=N5.Cl

Isomeric SMILES

CC1=NN=C(C1(C2=CC=CC=C2)C(=O)C(C)(CC3=CC=CC=C3)N4CCNCC4)C5=NC=CC=N5.Cl

InChI

InChI=1S/C28H30N6O.ClH/c1-21-28(23-12-7-4-8-13-23,24(33-32-21)25-30-14-9-15-31-25)26(35)27(2,34-18-16-29-17-19-34)20-22-10-5-3-6-11-22;/h3-15,29H,16-20H2,1-2H3;1H