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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(2S)-pentan-2-yl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(1S)-1-methylbutyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[(2S)-pentan-2-yl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(2S)-pentan-2-yl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(1S)-1-methylbutyl]benzamide Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C1=CC=C(C=C1)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CCC[C@H](C)NC(=O)C1=CC=C(C=C1)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H24N4O3/c1-5-6-12(2)19-18(23)16-9-7-15(8-10-16)11-21-14(4)17(22(24)25)13(3)20-21/h7-10,12H,5-6,11H2,1-4H3,(H,19,23)/t12-/m0/s1