3-(3-chlorophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(3-chlorophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-(3-chlorophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-pyrazole-5-carboxamide CAS Name: 3-(3-chlorophenyl)-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(3-chlorophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-(3-chlorophenyl)-N-[3-[4-(2-pyrimidyl)piperazino]propyl]-1H-pyrazole-5-carboxamide Formula: C21H24ClN7O MolecularWeight: 425.91456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)C2=CC(=NN2)C3=CC(=CC=C3)Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCNC(=O)C2=CC(=NN2)C3=CC(=CC=C3)Cl)C4=NC=CC=N4

InChI

InChI=1S/C21H24ClN7O/c22-17-5-1-4-16(14-17)18-15-19(27-26-18)20(30)23-8-3-9-28-10-12-29(13-11-28)21-24-6-2-7-25-21/h1-2,4-7,14-15H,3,8-13H2,(H,23,30)(H,26,27)