5-(4-fluorophenyl)-2-(4-nitrophenyl)-N-[1-(phenylmethyl)piperidin-4-yl]pyrazole-3-carboxamide

Systemtic Name: 5-(4-fluorophenyl)-2-(4-nitrophenyl)-N-[1-(phenylmethyl)piperidin-4-yl]pyrazole-3-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-5-(4-fluorophenyl)-2-(4-nitrophenyl)pyrazole-3-carboxamide CAS Name: 5-(4-fluorophenyl)-2-(4-nitrophenyl)-N-[1-(phenylmethyl)-4-piperidinyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-5-(4-fluorophenyl)-2-(4-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-5-(4-fluorophenyl)-2-(4-nitrophenyl)pyrazole-3-carboxamide Formula: C28H26FN5O3 MolecularWeight: 499.536143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)F)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)F)CC5=CC=CC=C5

InChI

InChI=1S/C28H26FN5O3/c29-22-8-6-21(7-9-22)26-18-27(33(31-26)24-10-12-25(13-11-24)34(36)37)28(35)30-23-14-16-32(17-15-23)19-20-4-2-1-3-5-20/h1-13,18,23H,14-17,19H2,(H,30,35)