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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCCCN2CCN(CC2)C3=CC=C(C=C3)F)N4C=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCCCN2CCN(CC2)C3=CC=C(C=C3)F)N4C=CC=C4)C5=CC=CC=C5

InChI

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