1,3-diphenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrazole-4-carboxamide

Systemtic Name: 1,3-diphenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrazole-4-carboxamide Openeye Name: 1,3-diphenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrazole-4-carboxamide CAS Name: 1,3-diphenyl-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-4-pyrazolecarboxamide IUPAC Name: 1,3-diphenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrazole-4-carboxamide Traditional Name: 1,3-diphenyl-N-[3-[4-(2-pyrimidyl)piperazino]propyl]pyrazole-4-carboxamide Formula: C27H29N7O MolecularWeight: 467.56546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CCCNC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C27H29N7O/c35-26(28-15-8-16-32-17-19-33(20-18-32)27-29-13-7-14-30-27)24-21-34(23-11-5-2-6-12-23)31-25(24)22-9-3-1-4-10-22/h1-7,9-14,21H,8,15-20H2,(H,28,35)