1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3-methylphenoxy)-5-nitro-phenyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3-methylphenoxy)-5-nitro-phenyl]pyrazole-3-carboxamide Openeye Name: 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3-methylphenoxy)-5-nitro-phenyl]pyrazole-3-carboxamide CAS Name: 1-[(3,5-dimethyl-1-pyrazolyl)methyl]-N-[3-(3-methylphenoxy)-5-nitrophenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3-methylphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide Traditional Name: 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3-methylphenoxy)-5-nitro-phenyl]pyrazole-3-carboxamide Formula: C23H22N6O4 MolecularWeight: 446.45858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3)CN4C(=CC(=N4)C)C

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3)CN4C(=CC(=N4)C)C

InChI

InChI=1S/C23H22N6O4/c1-15-5-4-6-20(9-15)33-21-12-18(11-19(13-21)29(31)32)24-23(30)22-7-8-27(26-22)14-28-17(3)10-16(2)25-28/h4-13H,14H2,1-3H3,(H,24,30)