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

Systemtic Name: 1-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-methylamino]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]-3-nitro-phenyl]ethanone Formula: C21H22N4O3 MolecularWeight: 378.42438

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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)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-14-19(15(2)24(22-14)18-8-6-5-7-9-18)13-23(4)20-11-10-17(16(3)26)12-21(20)25(27)28/h5-12H,13H2,1-4H3