4-butyl-N-[2-(4-phenoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclohexane-1-carboxamide

Systemtic Name: 4-butyl-N-[2-(4-phenoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclohexane-1-carboxamide Openeye Name: 4-butyl-N-[2-(4-phenoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclohexanecarboxamide CAS Name: 4-butyl-N-[2-(4-phenoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-butyl-N-[2-(4-phenoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclohexane-1-carboxamide Traditional Name: 4-butyl-N-[2-(4-phenoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclohexanecarboxamide Formula: C28H33N3O2S MolecularWeight: 475.64552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NC2=C3CSCC3=NN2C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NC2=C3CSCC3=NN2C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H33N3O2S/c1-2-3-7-20-10-12-21(13-11-20)28(32)29-27-25-18-34-19-26(25)30-31(27)22-14-16-24(17-15-22)33-23-8-5-4-6-9-23/h4-6,8-9,14-17,20-21H,2-3,7,10-13,18-19H2,1H3,(H,29,32)