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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[4-(methylcarbamoyl)phenyl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[4-(methylcarbamoyl)phenyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[4-(methylcarbamoyl)phenyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[4-(methylcarbamoyl)phenyl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[4-(methylcarbamoyl)phenyl]benzamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)NC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)NC)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c1-13-19(26(29)30)14(2)25(24-13)12-15-4-6-17(7-5-15)21(28)23-18-10-8-16(9-11-18)20(27)22-3/h4-11H,12H2,1-3H3,(H,22,27)(H,23,28)