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

Systemtic Name: (E)-3-[3-(cyclobutylamino)-6-(4-dimethylaminophenyl)-6-phenyl-7H-indazol-1-yl]prop-2-enal Openeye Name: (E)-3-[3-(cyclobutylamino)-6-(4-dimethylaminophenyl)-6-phenyl-7H-indazol-1-yl]prop-2-enal CAS Name: (E)-3-[3-(cyclobutylamino)-6-(4-dimethylaminophenyl)-6-phenyl-7H-indazol-1-yl]-2-propenal IUPAC Name: (E)-3-[3-(cyclobutylamino)-6-(4-dimethylaminophenyl)-6-phenyl-7H-indazol-1-yl]prop-2-enal Traditional Name: (E)-3-[3-(cyclobutylamino)-6-(4-dimethylaminophenyl)-6-phenyl-7H-indazol-1-yl]acrolein Formula: C28H30N4O MolecularWeight: 438.564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O/c1-31(2)24-14-12-22(13-15-24)28(21-8-4-3-5-9-21)17-16-25-26(20-28)32(18-7-19-33)30-27(25)29-23-10-6-11-23/h3-5,7-9,12-19,23H,6,10-11,20H2,1-2H3,(H,29,30)/b18-7+