N-[(E)-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]phthalazin-1-amine

Systemtic Name: N-[(E)-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]phthalazin-1-amine Openeye Name: N-[(E)-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]phthalazin-1-amine CAS Name: N-[(E)-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-1-phthalazinamine IUPAC Name: N-[(E)-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]phthalazin-1-amine Traditional Name: [(E)-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-phthalazin-1-yl-amine Formula: C26H22N6O2 MolecularWeight: 450.49188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=NNC3=NN=CC4=CC=CC=C43)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=N/NC3=NN=CC4=CC=CC=C43)C5=CC=CC=C5)OC

InChI

InChI=1S/C26H22N6O2/c1-33-23-13-12-18(14-24(23)34-2)25-20(17-32(31-25)21-9-4-3-5-10-21)16-28-30-26-22-11-7-6-8-19(22)15-27-29-26/h3-17H,1-2H3,(H,29,30)/b28-16+