(E)-3-[6-(1,3-benzodioxol-5-yl)-3-(cyclobutylamino)-6-phenyl-7H-indazol-1-yl]prop-2-enal

Systemtic Name: (E)-3-[6-(1,3-benzodioxol-5-yl)-3-(cyclobutylamino)-6-phenyl-7H-indazol-1-yl]prop-2-enal Openeye Name: (E)-3-[6-(1,3-benzodioxol-5-yl)-3-(cyclobutylamino)-6-phenyl-7H-indazol-1-yl]prop-2-enal CAS Name: (E)-3-[6-(1,3-benzodioxol-5-yl)-3-(cyclobutylamino)-6-phenyl-7H-indazol-1-yl]-2-propenal IUPAC Name: (E)-3-[6-(1,3-benzodioxol-5-yl)-3-(cyclobutylamino)-6-phenyl-7H-indazol-1-yl]prop-2-enal Traditional Name: (E)-3-[6-(1,3-benzodioxol-5-yl)-3-(cyclobutylamino)-6-phenyl-7H-indazol-1-yl]acrolein Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC2=NN(C3=C2C=CC(C3)(C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6)C=CC=O

Isomeric SMILES

C1CC(C1)NC2=NN(C3=C2C=CC(C3)(C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6)/C=C/C=O

InChI

InChI=1S/C27H25N3O3/c31-15-5-14-30-23-17-27(19-6-2-1-3-7-19,20-10-11-24-25(16-20)33-18-32-24)13-12-22(23)26(29-30)28-21-8-4-9-21/h1-3,5-7,10-16,21H,4,8-9,17-18H2,(H,28,29)/b14-5+