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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)C2=C(N(N=C2)C3=CC(=CC=C3)F)N4C=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCNC(=O)C2=C(N(N=C2)C3=CC(=CC=C3)F)N4C=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H31FN6O/c29-24-10-6-11-25(20-24)35-28(34-14-4-5-15-34)26(21-31-35)27(36)30-12-7-13-32-16-18-33(19-17-32)22-23-8-2-1-3-9-23/h1-6,8-11,14-15,20-21H,7,12-13,16-19,22H2,(H,30,36)