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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O3/c1-33-23-11-7-20(8-12-23)28(21-9-13-24(34-2)14-10-21)16-15-25-26(19-28)31(17-4-18-32)30-27(25)29-22-5-3-6-22/h4,7-18,22H,3,5-6,19H2,1-2H3,(H,29,30)/b17-4+