1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonyl-N-(phenylmethyl)piperidine-3-carboxamide

Systemtic Name: 1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonyl-N-(phenylmethyl)piperidine-3-carboxamide Openeye Name: N-benzyl-1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]piperidine-3-carboxamide CAS Name: 1-[[1-(4-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-N-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: N-benzyl-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxamide Traditional Name: N-benzyl-1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]nipecotamide Formula: C27H26FN5O2 MolecularWeight: 471.526043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N4C=CC=C4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N4C=CC=C4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C27H26FN5O2/c28-22-10-12-23(13-11-22)33-26(31-14-4-5-15-31)24(18-30-33)27(35)32-16-6-9-21(19-32)25(34)29-17-20-7-2-1-3-8-20/h1-5,7-8,10-15,18,21H,6,9,16-17,19H2,(H,29,34)