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

Systemtic Name: 1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide Openeye Name: 1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]-N-[2-(p-tolyl)ethyl]piperidine-3-carboxamide CAS Name: 1-[[1-(4-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-N-[2-(4-methylphenyl)ethyl]-3-piperidinecarboxamide IUPAC Name: 1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide Traditional Name: 1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]-N-[2-(p-tolyl)ethyl]nipecotamide Formula: C29H30FN5O2 MolecularWeight: 499.579203

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H30FN5O2/c1-21-6-8-22(9-7-21)14-15-31-27(36)23-5-4-18-34(20-23)29(37)26-19-32-35(25-12-10-24(30)11-13-25)28(26)33-16-2-3-17-33/h2-3,6-13,16-17,19,23H,4-5,14-15,18,20H2,1H3,(H,31,36)