1-(4-fluorophenyl)-N-[2-[4-(phenylmethyl)piperidin-1-yl]ethyl]-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-N-[2-[4-(phenylmethyl)piperidin-1-yl]ethyl]-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[2-(4-benzyl-1-piperidyl)ethyl]-1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: 1-(4-fluorophenyl)-N-[2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[2-(4-benzylpiperidin-1-yl)ethyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-[2-(4-benzylpiperidino)ethyl]-1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C28H30FN5O MolecularWeight: 471.569103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCNC(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N5C=CC=C5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCNC(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N5C=CC=C5

InChI

InChI=1S/C28H30FN5O/c29-24-8-10-25(11-9-24)34-28(33-15-4-5-16-33)26(21-31-34)27(35)30-14-19-32-17-12-23(13-18-32)20-22-6-2-1-3-7-22/h1-11,15-16,21,23H,12-14,17-20H2,(H,30,35)