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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC=N2)C(=O)CCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5.Cl

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC=N2)C(=O)CCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5.Cl

InChI

InChI=1S/C28H30N6O.ClH/c1-22-25(21-31-34(22)28-29-14-8-15-30-28)26(35)13-16-32-17-19-33(20-18-32)27(23-9-4-2-5-10-23)24-11-6-3-7-12-24;/h2-12,14-15,21,27H,13,16-20H2,1H3;1H