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

Systemtic Name: (E)-3-[3-(cyclobutylamino)-6-(4-methoxyphenyl)-6-phenyl-7H-indazol-1-yl]prop-2-enal Openeye Name: (E)-3-[3-(cyclobutylamino)-6-(4-methoxyphenyl)-6-phenyl-7H-indazol-1-yl]prop-2-enal CAS Name: (E)-3-[3-(cyclobutylamino)-6-(4-methoxyphenyl)-6-phenyl-7H-indazol-1-yl]-2-propenal IUPAC Name: (E)-3-[3-(cyclobutylamino)-6-(4-methoxyphenyl)-6-phenyl-7H-indazol-1-yl]prop-2-enal Traditional Name: (E)-3-[3-(cyclobutylamino)-6-(4-methoxyphenyl)-6-phenyl-7H-indazol-1-yl]acrolein Formula: C27H27N3O2 MolecularWeight: 425.52218

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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O2/c1-32-23-13-11-21(12-14-23)27(20-7-3-2-4-8-20)16-15-24-25(19-27)30(17-6-18-31)29-26(24)28-22-9-5-10-22/h2-4,6-8,11-18,22H,5,9-10,19H2,1H3,(H,28,29)/b17-6+