N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(4-methylphenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-1-(4-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-[3-[4-(4-fluorophenyl)piperazino]propyl]-1-(p-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C28H31FN6O MolecularWeight: 486.583743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCCCN3CCN(CC3)C4=CC=C(C=C4)F)N5C=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCCCN3CCN(CC3)C4=CC=C(C=C4)F)N5C=CC=C5

InChI

InChI=1S/C28H31FN6O/c1-22-5-9-25(10-6-22)35-28(34-15-2-3-16-34)26(21-31-35)27(36)30-13-4-14-32-17-19-33(20-18-32)24-11-7-23(29)8-12-24/h2-3,5-12,15-16,21H,4,13-14,17-20H2,1H3,(H,30,36)