1-(4-cyclohexylpiperazin-1-yl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanone

Systemtic Name: 1-(4-cyclohexylpiperazin-1-yl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanone Openeye Name: 1-(4-cyclohexylpiperazin-1-yl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanone CAS Name: 1-(4-cyclohexyl-1-piperazinyl)-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylsulfinyl]ethanone IUPAC Name: 1-(4-cyclohexylpiperazin-1-yl)-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]ethanone Traditional Name: 1-(4-cyclohexylpiperazino)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanone Formula: C26H33N5O2S MolecularWeight: 479.63752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)CS(=O)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)CS(=O)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C26H33N5O2S/c32-25(29-17-15-28(16-18-29)23-9-3-1-4-10-23)21-34(33)20-22-19-27-31(24-11-5-2-6-12-24)26(22)30-13-7-8-14-30/h2,5-8,11-14,19,23H,1,3-4,9-10,15-18,20-21H2