N-[(E)-[3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(E)-[3-(3-methylphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(E)-[3-(m-tolyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(E)-[3-(3-methylphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(E)-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(E)-[3-(m-tolyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-piperonylamide Formula: C25H20N4O3 MolecularWeight: 424.4513

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C=NNC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2/C=N/NC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H20N4O3/c1-17-6-5-7-18(12-17)24-20(15-29(28-24)21-8-3-2-4-9-21)14-26-27-25(30)19-10-11-22-23(13-19)32-16-31-22/h2-15H,16H2,1H3,(H,27,30)/b26-14+