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

Systemtic Name: (E)-3-[3-(cyclopropylamino)-6-(3,4-dimethoxyphenyl)-6-phenyl-7H-indazol-1-yl]prop-2-enal Openeye Name: (E)-3-[3-(cyclopropylamino)-6-(3,4-dimethoxyphenyl)-6-phenyl-7H-indazol-1-yl]prop-2-enal CAS Name: (E)-3-[3-(cyclopropylamino)-6-(3,4-dimethoxyphenyl)-6-phenyl-7H-indazol-1-yl]-2-propenal IUPAC Name: (E)-3-[3-(cyclopropylamino)-6-(3,4-dimethoxyphenyl)-6-phenyl-7H-indazol-1-yl]prop-2-enal Traditional Name: (E)-3-[3-(cyclopropylamino)-6-(3,4-dimethoxyphenyl)-6-phenyl-7H-indazol-1-yl]acrolein Formula: C27H27N3O3 MolecularWeight: 441.52158

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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)NC4CC4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CC3=C(C=C2)C(=NN3/C=C/C=O)NC4CC4)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H27N3O3/c1-32-24-12-9-20(17-25(24)33-2)27(19-7-4-3-5-8-19)14-13-22-23(18-27)30(15-6-16-31)29-26(22)28-21-10-11-21/h3-9,12-17,21H,10-11,18H2,1-2H3,(H,28,29)/b15-6+