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

Systemtic Name: N-[(4-fluorophenyl)methyl]-1-(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-1-(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)piperidine-4-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-1-[[3-methyl-1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-1-(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide Traditional Name: N-(4-fluorobenzyl)-1-(3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)isonipecotamide Formula: C28H28FN5O2 MolecularWeight: 485.552623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)F)N4C=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)F)N4C=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28FN5O2/c1-20-25(27(32-15-5-6-16-32)34(31-20)24-7-3-2-4-8-24)28(36)33-17-13-22(14-18-33)26(35)30-19-21-9-11-23(29)12-10-21/h2-12,15-16,22H,13-14,17-19H2,1H3,(H,30,35)