N-(2,5-dimethylphenyl)-1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonyl-piperidine-3-carboxamide

Systemtic Name: N-(2,5-dimethylphenyl)-1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonyl-piperidine-3-carboxamide Openeye Name: N-(2,5-dimethylphenyl)-1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]piperidine-3-carboxamide CAS Name: N-(2,5-dimethylphenyl)-1-[[1-(4-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxamide IUPAC Name: N-(2,5-dimethylphenyl)-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxamide Traditional Name: N-(2,5-dimethylphenyl)-1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]nipecotamide Formula: C28H28FN5O2 MolecularWeight: 485.552623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2CCCN(C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N5C=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C2CCCN(C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N5C=CC=C5

InChI

InChI=1S/C28H28FN5O2/c1-19-7-8-20(2)25(16-19)31-26(35)21-6-5-15-33(18-21)28(36)24-17-30-34(23-11-9-22(29)10-12-23)27(24)32-13-3-4-14-32/h3-4,7-14,16-17,21H,5-6,15,18H2,1-2H3,(H,31,35)