2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone

Systemtic Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone Openeye Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]-1-[4-(1-piperidyl)-1-piperidyl]ethanone CAS Name: 2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]-1-[4-(1-piperidinyl)-1-piperidinyl]ethanone IUPAC Name: 2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone Traditional Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]-1-(4-piperidinopiperidino)ethanone Formula: C26H33N5OS MolecularWeight: 463.63812

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)C(=O)CSCC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)C(=O)CSCC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C26H33N5OS/c32-25(29-17-11-23(12-18-29)28-13-5-2-6-14-28)21-33-20-22-19-27-31(24-9-3-1-4-10-24)26(22)30-15-7-8-16-30/h1,3-4,7-10,15-16,19,23H,2,5-6,11-14,17-18,20-21H2