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

Systemtic Name: (E)-3-[3-(cyclobutylamino)-6-(3,4-dimethoxyphenyl)-6-phenyl-7H-indazol-1-yl]prop-2-enal Openeye Name: (E)-3-[3-(cyclobutylamino)-6-(3,4-dimethoxyphenyl)-6-phenyl-7H-indazol-1-yl]prop-2-enal CAS Name: (E)-3-[3-(cyclobutylamino)-6-(3,4-dimethoxyphenyl)-6-phenyl-7H-indazol-1-yl]-2-propenal IUPAC Name: (E)-3-[3-(cyclobutylamino)-6-(3,4-dimethoxyphenyl)-6-phenyl-7H-indazol-1-yl]prop-2-enal Traditional Name: (E)-3-[3-(cyclobutylamino)-6-(3,4-dimethoxyphenyl)-6-phenyl-7H-indazol-1-yl]acrolein Formula: C28H29N3O3 MolecularWeight: 455.54816

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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)NC4CCC4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CC3=C(C=C2)C(=NN3/C=C/C=O)NC4CCC4)C5=CC=CC=C5)OC

InChI

InChI=1S/C28H29N3O3/c1-33-25-13-12-21(18-26(25)34-2)28(20-8-4-3-5-9-20)15-14-23-24(19-28)31(16-7-17-32)30-27(23)29-22-10-6-11-22/h3-5,7-9,12-18,22H,6,10-11,19H2,1-2H3,(H,29,30)/b16-7+