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

Systemtic Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-phenethyl-butanamide Openeye Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-phenethyl-butanamide CAS Name: 4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-phenethylbutanamide IUPAC Name: 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-phenethylbutanamide Traditional Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-phenethyl-butyramide Formula: C17H22N4O3 MolecularWeight: 330.38158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NCCC2=CC=CC=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NCCC2=CC=CC=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O3/c1-13-17(21(23)24)14(2)20(19-13)12-6-9-16(22)18-11-10-15-7-4-3-5-8-15/h3-5,7-8H,6,9-12H2,1-2H3,(H,18,22)