[[(3Z)-5-isoquinolin-4-yl-3-[5-(4-methylpiperazin-1-yl)benzimidazol-2-ylidene]-2H-indazol-1-yl]-methyl-phosphanyl]boron

Systemtic Name: [[(3Z)-5-isoquinolin-4-yl-3-[5-(4-methylpiperazin-1-yl)benzimidazol-2-ylidene]-2H-indazol-1-yl]-methyl-phosphanyl]boron Openeye Name: [[(3Z)-5-(4-isoquinolyl)-3-[5-(4-methylpiperazin-1-yl)benzimidazol-2-ylidene]-2H-indazol-1-yl]-methyl-phosphanyl]boron CAS Name: [[(3Z)-5-(4-isoquinolinyl)-3-[5-(4-methyl-1-piperazinyl)-2-benzimidazolylidene]-2H-indazol-1-yl]-methylphosphino]boron IUPAC Name: [[(3Z)-5-isoquinolin-4-yl-3-[5-(4-methylpiperazin-1-yl)benzimidazol-2-ylidene]-2H-indazol-1-yl]-methylphosphanyl]boron Traditional Name: [[(3Z)-5-(4-isoquinolyl)-3-[5-(4-methylpiperazino)benzimidazol-2-ylidene]indazolin-1-yl]-methyl-phosphino]boron Formula: C29H27BN7P MolecularWeight: 515.356341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B]P(C)N1C2=C(C=C(C=C2)C3=CN=CC4=CC=CC=C43)C(=C5N=C6C=CC(=CC6=N5)N7CCN(CC7)C)N1

Isomeric SMILES

[B]P(C)N1C2=C(C=C(C=C2)C3=CN=CC4=CC=CC=C43)/C(=C/5\N=C6C=CC(=CC6=N5)N7CCN(CC7)C)/N1

InChI

InChI=1S/C29H27BN7P/c1-35-11-13-36(14-12-35)21-8-9-25-26(16-21)33-29(32-25)28-23-15-19(7-10-27(23)37(34-28)38(2)30)24-18-31-17-20-5-3-4-6-22(20)24/h3-10,15-18,34H,11-14H2,1-2H3/b29-28-