3-[4-(3-chlorophenyl)piperazin-1-yl]-1-[5-(phenylmethyl)-1-pyrimidin-2-yl-pyrazol-4-yl]propan-1-one

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]-1-[5-(phenylmethyl)-1-pyrimidin-2-yl-pyrazol-4-yl]propan-1-one Openeye Name: 1-(5-benzyl-1-pyrimidin-2-yl-pyrazol-4-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one CAS Name: 3-[4-(3-chlorophenyl)-1-piperazinyl]-1-[5-(phenylmethyl)-1-(2-pyrimidinyl)-4-pyrazolyl]-1-propanone IUPAC Name: 1-(5-benzyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one Traditional Name: 1-[5-benzyl-1-(2-pyrimidyl)pyrazol-4-yl]-3-[4-(3-chlorophenyl)piperazino]propan-1-one Formula: C27H27ClN6O MolecularWeight: 486.99588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=C(N(N=C2)C3=NC=CC=N3)CC4=CC=CC=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=C(N(N=C2)C3=NC=CC=N3)CC4=CC=CC=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H27ClN6O/c28-22-8-4-9-23(19-22)33-16-14-32(15-17-33)13-10-26(35)24-20-31-34(27-29-11-5-12-30-27)25(24)18-21-6-2-1-3-7-21/h1-9,11-12,19-20H,10,13-18H2