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

Systemtic Name: N-[(4-fluorophenyl)methyl]-1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)piperidine-4-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-1-[oxo-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide Traditional Name: N-(4-fluorobenzyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)isonipecotamide Formula: C27H26FN5O2 MolecularWeight: 471.526043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)F)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)F)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

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