N-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-N-piperonyl-pyrazole-3-carboxamide Formula: C26H22N4O5 MolecularWeight: 470.47668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC(=CC=C5)[N+](=O)[O-])C

InChI

InChI=1S/C26H22N4O5/c1-16-6-8-19(10-17(16)2)22-13-23(29(28-22)20-4-3-5-21(12-20)30(32)33)26(31)27-14-18-7-9-24-25(11-18)35-15-34-24/h3-13H,14-15H2,1-2H3,(H,27,31)