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

Systemtic Name: 4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]-3-nitro-benzamide Openeye Name: 4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]-3-nitro-benzamide CAS Name: 4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-methylamino]-3-nitrobenzamide IUPAC Name: 4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-3-nitrobenzamide Traditional Name: 4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]-3-nitro-benzamide Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c1-13-17(14(2)24(22-13)16-7-5-4-6-8-16)12-23(3)18-10-9-15(20(21)26)11-19(18)25(27)28/h4-11H,12H2,1-3H3,(H2,21,26)