N-(3-methylsulfanylphenyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)piperidine-4-carboxamide CAS Name: N-[3-(methylthio)phenyl]-1-[oxo-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide Traditional Name: N-[3-(methylthio)phenyl]-1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)isonipecotamide Formula: C27H27N5O2S MolecularWeight: 485.60058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C27H27N5O2S/c1-35-23-11-7-8-21(18-23)29-25(33)20-12-16-31(17-13-20)27(34)24-19-28-32(22-9-3-2-4-10-22)26(24)30-14-5-6-15-30/h2-11,14-15,18-20H,12-13,16-17H2,1H3,(H,29,33)