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

Systemtic Name: 1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonyl-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide Openeye Name: 1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]-N-[2-(2-thienyl)ethyl]piperidine-3-carboxamide CAS Name: 1-[[1-(4-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-N-(2-thiophen-2-ylethyl)-3-piperidinecarboxamide IUPAC Name: 1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide Traditional Name: 1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]-N-[2-(2-thienyl)ethyl]nipecotamide Formula: C26H26FN5O2S MolecularWeight: 491.580343

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N4C=CC=C4)C(=O)NCCC5=CC=CS5

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N4C=CC=C4)C(=O)NCCC5=CC=CS5

InChI

InChI=1S/C26H26FN5O2S/c27-20-7-9-21(10-8-20)32-25(30-13-1-2-14-30)23(17-29-32)26(34)31-15-3-5-19(18-31)24(33)28-12-11-22-6-4-16-35-22/h1-2,4,6-10,13-14,16-17,19H,3,5,11-12,15,18H2,(H,28,33)