3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(1-pyrimidin-2-ylpyrazol-4-yl)propan-1-one

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(1-pyrimidin-2-ylpyrazol-4-yl)propan-1-one Openeye Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(1-pyrimidin-2-ylpyrazol-4-yl)propan-1-one CAS Name: 3-[4-(3-chlorophenyl)-1-piperazinyl]-1-[1-(2-pyrimidinyl)-4-pyrazolyl]-1-propanone IUPAC Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(1-pyrimidin-2-ylpyrazol-4-yl)propan-1-one Traditional Name: 3-[4-(3-chlorophenyl)piperazino]-1-[1-(2-pyrimidyl)pyrazol-4-yl]propan-1-one Formula: C20H21ClN6O MolecularWeight: 396.87334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN6O/c21-17-3-1-4-18(13-17)26-11-9-25(10-12-26)8-5-19(28)16-14-24-27(15-16)20-22-6-2-7-23-20/h1-4,6-7,13-15H,5,8-12H2