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

Systemtic Name: 3-(4-methylphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-(p-tolyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-pyrazole-5-carboxamide CAS Name: 3-(4-methylphenyl)-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(4-methylphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-(p-tolyl)-N-[3-[4-(2-pyrimidyl)piperazino]propyl]-1H-pyrazole-5-carboxamide Formula: C22H27N7O MolecularWeight: 405.49608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H27N7O/c1-17-4-6-18(7-5-17)19-16-20(27-26-19)21(30)23-10-3-11-28-12-14-29(15-13-28)22-24-8-2-9-25-22/h2,4-9,16H,3,10-15H2,1H3,(H,23,30)(H,26,27)