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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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