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

Systemtic Name: N-(4-ethylphenyl)-1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonyl-piperidine-3-carboxamide Openeye Name: N-(4-ethylphenyl)-1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]piperidine-3-carboxamide CAS Name: N-(4-ethylphenyl)-1-[[1-(4-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-3-piperidinecarboxamide IUPAC Name: N-(4-ethylphenyl)-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxamide Traditional Name: N-(4-ethylphenyl)-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:

CCC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N5C=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N5C=CC=C5

InChI

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