3-[[(2Z)-2-(5-isoquinolin-4-yl-1,2-dihydroindazol-3-ylidene)benzimidazol-4-yl]methylamino]butan-2-ol

Systemtic Name: 3-[[(2Z)-2-(5-isoquinolin-4-yl-1,2-dihydroindazol-3-ylidene)benzimidazol-4-yl]methylamino]butan-2-ol Openeye Name: 3-[[(2Z)-2-[5-(4-isoquinolyl)-1,2-dihydroindazol-3-ylidene]benzimidazol-4-yl]methylamino]butan-2-ol CAS Name: 3-[[(2Z)-2-[5-(4-isoquinolinyl)-1,2-dihydroindazol-3-ylidene]-4-benzimidazolyl]methylamino]-2-butanol IUPAC Name: 3-[[(2Z)-2-(5-isoquinolin-4-yl-1,2-dihydroindazol-3-ylidene)benzimidazol-4-yl]methylamino]butan-2-ol Traditional Name: 3-[[(2Z)-2-[5-(4-isoquinolyl)indazolin-3-ylidene]benzimidazol-4-yl]methylamino]butan-2-ol Formula: C28H26N6O MolecularWeight: 462.54564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)O)NCC1=CC=CC2=NC(=C3C4=C(C=CC(=C4)C5=CN=CC6=CC=CC=C65)NN3)N=C21

Isomeric SMILES

CC(C(C)O)NCC1=CC=CC2=N/C(=C/3\C4=C(C=CC(=C4)C5=CN=CC6=CC=CC=C65)NN3)/N=C21

InChI

InChI=1S/C28H26N6O/c1-16(17(2)35)30-14-20-7-5-9-25-26(20)32-28(31-25)27-22-12-18(10-11-24(22)33-34-27)23-15-29-13-19-6-3-4-8-21(19)23/h3-13,15-17,30,33-35H,14H2,1-2H3/b28-27-