N-[(E)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]phthalazin-1-amine

Systemtic Name: N-[(E)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]phthalazin-1-amine Openeye Name: N-[(E)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]phthalazin-1-amine CAS Name: N-[(E)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methylideneamino]-1-phthalazinamine IUPAC Name: N-[(E)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]phthalazin-1-amine Traditional Name: [(E)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-phthalazin-1-yl-amine Formula: C26H20N6O2 MolecularWeight: 448.476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=NNC4=NN=CC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3/C=N/NC4=NN=CC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C26H20N6O2/c1-2-7-21(8-3-1)32-17-20(16-28-30-26-22-9-5-4-6-19(22)15-27-29-26)25(31-32)18-10-11-23-24(14-18)34-13-12-33-23/h1-11,14-17H,12-13H2,(H,29,30)/b28-16+