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

Systemtic Name: 1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonyl-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide Openeye Name: 1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide CAS Name: 1-[[1-(4-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]-N-[3-(methylthio)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide Traditional Name: 1-[1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]-N-[3-(methylthio)phenyl]nipecotamide Formula: C27H26FN5O2S MolecularWeight: 503.591043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCCN(C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N5C=CC=C5

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CCCN(C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N5C=CC=C5

InChI

InChI=1S/C27H26FN5O2S/c1-36-23-8-4-7-21(16-23)30-25(34)19-6-5-15-32(18-19)27(35)24-17-29-33(22-11-9-20(28)10-12-22)26(24)31-13-2-3-14-31/h2-4,7-14,16-17,19H,5-6,15,18H2,1H3,(H,30,34)