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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]benzamide Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O4/c1-5-10-20-18(25)13(3)21-19(26)16-8-6-15(7-9-16)11-23-14(4)17(24(27)28)12(2)22-23/h6-9,13H,5,10-11H2,1-4H3,(H,20,25)(H,21,26)/t13-/m0/s1