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

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(5-phenyl-1-pyrimidin-2-yl-pyrazol-4-yl)propan-1-one Openeye Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(5-phenyl-1-pyrimidin-2-yl-pyrazol-4-yl)propan-1-one CAS Name: 3-[4-(3-chlorophenyl)-1-piperazinyl]-1-[5-phenyl-1-(2-pyrimidinyl)-4-pyrazolyl]-1-propanone IUPAC Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(5-phenyl-1-pyrimidin-2-ylpyrazol-4-yl)propan-1-one Traditional Name: 3-[4-(3-chlorophenyl)piperazino]-1-[5-phenyl-1-(2-pyrimidyl)pyrazol-4-yl]propan-1-one Formula: C26H25ClN6O MolecularWeight: 472.9693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25ClN6O/c27-21-8-4-9-22(18-21)32-16-14-31(15-17-32)13-10-24(34)23-19-30-33(26-28-11-5-12-29-26)25(23)20-6-2-1-3-7-20/h1-9,11-12,18-19H,10,13-17H2