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

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

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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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O2/c1-32-23-13-5-10-21(18-23)27(20-8-3-2-4-9-20)15-14-24-25(19-27)30(16-7-17-31)29-26(24)28-22-11-6-12-22/h2-5,7-10,13-18,22H,6,11-12,19H2,1H3,(H,28,29)/b16-7+