3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]propanamide CAS Name: 3-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]propionamide Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N(CCC(=O)N)CC2=CC=CC=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N(CCC(=O)N)CC2=CC=CC=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4/c1-12-17(22(25)26)13(2)21(19-12)11-16(24)20(9-8-15(18)23)10-14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H2,18,23)