(2E)-2-(1,2-dihydroindazol-3-ylidene)-7,7-dimethyl-5-(3-morpholin-4-yl-2-oxidanyl-propyl)pyrrolo[2,3-f]benzimidazol-6-one

Systemtic Name: (2E)-2-(1,2-dihydroindazol-3-ylidene)-7,7-dimethyl-5-(3-morpholin-4-yl-2-oxidanyl-propyl)pyrrolo[2,3-f]benzimidazol-6-one Openeye Name: (2E)-2-(1,2-dihydroindazol-3-ylidene)-5-(2-hydroxy-3-morpholino-propyl)-7,7-dimethyl-pyrrolo[2,3-f]benzimidazol-6-one CAS Name: (2E)-2-(1,2-dihydroindazol-3-ylidene)-5-[2-hydroxy-3-(4-morpholinyl)propyl]-7,7-dimethyl-6-pyrrolo[2,3-f]benzimidazolone IUPAC Name: (2E)-2-(1,2-dihydroindazol-3-ylidene)-5-(2-hydroxy-3-morpholin-4-ylpropyl)-7,7-dimethylpyrrolo[2,3-f]benzimidazol-6-one Traditional Name: (2E)-5-(2-hydroxy-3-morpholino-propyl)-2-indazolin-3-ylidene-7,7-dimethyl-pyrrolo[2,3-f]benzimidazol-6-one Formula: C25H28N6O3 MolecularWeight: 460.52822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC3=NC(=C4C5=CC=CC=C5NN4)N=C3C=C2N(C1=O)CC(CN6CCOCC6)O)C

Isomeric SMILES

CC1(C2=CC3=N/C(=C\4/C5=CC=CC=C5NN4)/N=C3C=C2N(C1=O)CC(CN6CCOCC6)O)C

InChI

InChI=1S/C25H28N6O3/c1-25(2)17-11-19-20(27-23(26-19)22-16-5-3-4-6-18(16)28-29-22)12-21(17)31(24(25)33)14-15(32)13-30-7-9-34-10-8-30/h3-6,11-12,15,28-29,32H,7-10,13-14H2,1-2H3/b23-22+