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

Systemtic Name: (E)-3-[3-(cyclopropylamino)-6-(4-dimethylaminophenyl)-6-phenyl-7H-indazol-1-yl]prop-2-enal Openeye Name: (E)-3-[3-(cyclopropylamino)-6-(4-dimethylaminophenyl)-6-phenyl-7H-indazol-1-yl]prop-2-enal CAS Name: (E)-3-[3-(cyclopropylamino)-6-(4-dimethylaminophenyl)-6-phenyl-7H-indazol-1-yl]-2-propenal IUPAC Name: (E)-3-[3-(cyclopropylamino)-6-(4-dimethylaminophenyl)-6-phenyl-7H-indazol-1-yl]prop-2-enal Traditional Name: (E)-3-[3-(cyclopropylamino)-6-(4-dimethylaminophenyl)-6-phenyl-7H-indazol-1-yl]acrolein Formula: C27H28N4O MolecularWeight: 424.53742

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2(CC3=C(C=C2)C(=NN3C=CC=O)NC4CC4)C5=CC=CC=C5

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2(CC3=C(C=C2)C(=NN3/C=C/C=O)NC4CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O/c1-30(2)23-13-9-21(10-14-23)27(20-7-4-3-5-8-20)16-15-24-25(19-27)31(17-6-18-32)29-26(24)28-22-11-12-22/h3-10,13-18,22H,11-12,19H2,1-2H3,(H,28,29)/b17-6+