(E)-3-[3-azanyl-6-phenyl-6-(2,3,4-trimethoxyphenyl)-7H-indazol-1-yl]prop-2-enal

Systemtic Name: (E)-3-[3-azanyl-6-phenyl-6-(2,3,4-trimethoxyphenyl)-7H-indazol-1-yl]prop-2-enal Openeye Name: (E)-3-[3-amino-6-phenyl-6-(2,3,4-trimethoxyphenyl)-7H-indazol-1-yl]prop-2-enal CAS Name: (E)-3-[3-amino-6-phenyl-6-(2,3,4-trimethoxyphenyl)-7H-indazol-1-yl]-2-propenal IUPAC Name: (E)-3-[3-amino-6-phenyl-6-(2,3,4-trimethoxyphenyl)-7H-indazol-1-yl]prop-2-enal Traditional Name: (E)-3-[3-amino-6-phenyl-6-(2,3,4-trimethoxyphenyl)-7H-indazol-1-yl]acrolein Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2(CC3=C(C=C2)C(=NN3C=CC=O)N)C4=CC=CC=C4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C2(CC3=C(C=C2)C(=NN3/C=C/C=O)N)C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C25H25N3O4/c1-30-21-11-10-19(22(31-2)23(21)32-3)25(17-8-5-4-6-9-17)13-12-18-20(16-25)28(14-7-15-29)27-24(18)26/h4-15H,16H2,1-3H3,(H2,26,27)/b14-7+