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

Systemtic Name: 4-butyl-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclohexane-1-carboxamide Openeye Name: 4-butyl-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclohexanecarboxamide CAS Name: 4-butyl-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-butyl-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclohexane-1-carboxamide Traditional Name: 4-butyl-N-[2-(4-nitrophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclohexanecarboxamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NC2=C3CSCC3=NN2C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NC2=C3CSCC3=NN2C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O3S/c1-2-3-4-15-5-7-16(8-6-15)22(27)23-21-19-13-30-14-20(19)24-25(21)17-9-11-18(12-10-17)26(28)29/h9-12,15-16H,2-8,13-14H2,1H3,(H,23,27)