4-butyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)cyclohexane-1-carboxamide

Systemtic Name: 4-butyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)cyclohexane-1-carboxamide Openeye Name: 4-butyl-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)cyclohexanecarboxamide CAS Name: 4-butyl-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-cyclohexanecarboxamide IUPAC Name: 4-butyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)cyclohexane-1-carboxamide Traditional Name: 4-butyl-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)cyclohexanecarboxamide Formula: C22H31N3O2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C22H31N3O2/c1-4-5-9-17-12-14-18(15-13-17)21(26)23-20-16(2)24(3)25(22(20)27)19-10-7-6-8-11-19/h6-8,10-11,17-18H,4-5,9,12-15H2,1-3H3,(H,23,26)