4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(1S,2S)-2-methylcyclohexyl]benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(1S,2S)-2-methylcyclohexyl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(1S,2S)-2-methylcyclohexyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[(1S,2S)-2-methylcyclohexyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(1S,2S)-2-methylcyclohexyl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(1S,2S)-2-methylcyclohexyl]benzamide Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H26N4O3/c1-13-6-4-5-7-18(13)21-20(25)17-10-8-16(9-11-17)12-23-15(3)19(24(26)27)14(2)22-23/h8-11,13,18H,4-7,12H2,1-3H3,(H,21,25)/t13-,18-/m0/s1