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

Systemtic Name: N-[(2S)-butan-2-yl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(1S)-1-methylpropyl]benzamide CAS Name: N-[(2S)-butan-2-yl]-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[(2S)-butan-2-yl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(1S)-1-methylpropyl]benzamide Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3/c1-5-11(2)18-17(22)15-8-6-14(7-9-15)10-20-13(4)16(21(23)24)12(3)19-20/h6-9,11H,5,10H2,1-4H3,(H,18,22)/t11-/m0/s1