N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-tert-butyl-2-phenyl-pyrazole-3-carboxamide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-tert-butyl-2-phenyl-pyrazole-3-carboxamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-5-tert-butyl-2-phenyl-pyrazole-3-carboxamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-tert-butyl-2-phenyl-3-pyrazolecarboxamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-tert-butyl-2-phenylpyrazole-3-carboxamide Traditional Name: 5-tert-butyl-2-phenyl-N-[(E)-piperonylideneamino]pyrazole-3-carboxamide Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)NN=CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N/N=C/C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3/c1-22(2,3)20-12-17(26(25-20)16-7-5-4-6-8-16)21(27)24-23-13-15-9-10-18-19(11-15)29-14-28-18/h4-13H,14H2,1-3H3,(H,24,27)/b23-13+