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

Systemtic Name: 1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonyl-N-(3-methylbutyl)piperidine-3-carboxamide Openeye Name: 1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]-N-isopentyl-piperidine-3-carboxamide CAS Name: 1-[[1-(4-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-N-(3-methylbutyl)-3-piperidinecarboxamide IUPAC Name: 1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]-N-(3-methylbutyl)piperidine-3-carboxamide Traditional Name: 1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]-N-isoamyl-nipecotamide Formula: C25H30FN5O2 MolecularWeight: 451.536403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N4C=CC=C4

Isomeric SMILES

CC(C)CCNC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N4C=CC=C4

InChI

InChI=1S/C25H30FN5O2/c1-18(2)11-12-27-23(32)19-6-5-15-30(17-19)25(33)22-16-28-31(21-9-7-20(26)8-10-21)24(22)29-13-3-4-14-29/h3-4,7-10,13-14,16,18-19H,5-6,11-12,15,17H2,1-2H3,(H,27,32)