5-(4-chlorophenyl)-1-phenyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazol-3-one

Systemtic Name: 5-(4-chlorophenyl)-1-phenyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazol-3-one Openeye Name: 5-(4-chlorophenyl)-1-phenyl-2-[3-[4-(2-pyridyl)piperazin-1-yl]propyl]pyrazol-3-one CAS Name: 5-(4-chlorophenyl)-1-phenyl-2-[3-[4-(2-pyridinyl)-1-piperazinyl]propyl]-3-pyrazolone IUPAC Name: 5-(4-chlorophenyl)-1-phenyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazol-3-one Traditional Name: 5-(4-chlorophenyl)-1-phenyl-2-[3-[4-(2-pyridyl)piperazino]propyl]-3-pyrazolin-3-one Formula: C27H28ClN5O MolecularWeight: 473.99712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)C=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)C=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C5=CC=CC=N5

InChI

InChI=1S/C27H28ClN5O/c28-23-12-10-22(11-13-23)25-21-27(34)32(33(25)24-7-2-1-3-8-24)16-6-15-30-17-19-31(20-18-30)26-9-4-5-14-29-26/h1-5,7-14,21H,6,15-20H2