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

Systemtic Name: N-(2,3-dimethylphenyl)-1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonyl-piperidine-3-carboxamide Openeye Name: N-(2,3-dimethylphenyl)-1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]piperidine-3-carboxamide CAS Name: N-(2,3-dimethylphenyl)-1-[[1-(4-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxamide IUPAC Name: N-(2,3-dimethylphenyl)-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxamide Traditional Name: N-(2,3-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=C(C(=CC=C1)NC(=O)C2CCCN(C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N5C=CC=C5)C

Isomeric SMILES

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

InChI

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