(E)-3-[3-(cyclobutylamino)-6,6-bis(3-methoxyphenyl)-7H-indazol-1-yl]prop-2-enal

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CC3=C(C=C2)C(=NN3C=CC=O)NC4CCC4)C5=CC(=CC=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O3/c1-33-23-11-3-7-20(17-23)28(21-8-4-12-24(18-21)34-2)14-13-25-26(19-28)31(15-6-16-32)30-27(25)29-22-9-5-10-22/h3-4,6-8,11-18,22H,5,9-10,19H2,1-2H3,(H,29,30)/b15-6+