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

Systemtic Name: N-[(E)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(E)-[3-(4-benzyloxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(E)-[1-phenyl-3-(4-phenylmethoxyphenyl)-4-pyrazolyl]methylideneamino]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(E)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(E)-[3-(4-benzoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-piperonylamide Formula: C31H24N4O4 MolecularWeight: 516.54666

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NN=CC3=CN(N=C3C4=CC=C(C=C4)OCC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)N/N=C/C3=CN(N=C3C4=CC=C(C=C4)OCC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H24N4O4/c36-31(24-13-16-28-29(17-24)39-21-38-28)33-32-18-25-19-35(26-9-5-2-6-10-26)34-30(25)23-11-14-27(15-12-23)37-20-22-7-3-1-4-8-22/h1-19H,20-21H2,(H,33,36)/b32-18+