1-[2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]acetyl]piperidine-4-carboxamide CAS Name: 1-[1-oxo-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]acetyl]isonipecotamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C22H25N5O2S/c23-21(29)17-8-12-25(13-9-17)20(28)16-30-15-18-14-24-27(19-6-2-1-3-7-19)22(18)26-10-4-5-11-26/h1-7,10-11,14,17H,8-9,12-13,15-16H2,(H2,23,29)