4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(phenylmethyl)butanamide

Systemtic Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanamide CAS Name: 4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide Traditional Name: N-benzyl-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butyramide Formula: C16H20N4O3 MolecularWeight: 316.355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NCC2=CC=CC=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NCC2=CC=CC=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O3/c1-12-16(20(22)23)13(2)19(18-12)10-6-9-15(21)17-11-14-7-4-3-5-8-14/h3-5,7-8H,6,9-11H2,1-2H3,(H,17,21)