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

Systemtic Name: 1-(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)carbonyl-N-(3-propylsulfanylpropyl)piperidine-4-carboxamide Openeye Name: 1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)-N-(3-propylsulfanylpropyl)piperidine-4-carboxamide CAS Name: 1-[oxo-[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-N-[3-(propylthio)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-(3-propylsulfanylpropyl)piperidine-4-carboxamide Traditional Name: 1-(1-phenyl-5-pyrrol-1-yl-pyrazole-4-carbonyl)-N-[3-(propylthio)propyl]isonipecotamide Formula: C26H33N5O2S MolecularWeight: 479.63752

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCNC(=O)C1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CCCSCCCNC(=O)C1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C26H33N5O2S/c1-2-18-34-19-8-13-27-24(32)21-11-16-30(17-12-21)26(33)23-20-28-31(22-9-4-3-5-10-22)25(23)29-14-6-7-15-29/h3-7,9-10,14-15,20-21H,2,8,11-13,16-19H2,1H3,(H,27,32)