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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-phenethyl-benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-phenethyl-benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-phenethylbenzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-phenethylbenzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-phenethyl-benzamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCCC3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCCC3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3/c1-15-20(25(27)28)16(2)24(23-15)14-18-8-10-19(11-9-18)21(26)22-13-12-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,22,26)