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

Systemtic Name: [[(3Z)-3-(4-ethanoylbenzimidazol-2-ylidene)-5-isoquinolin-4-yl-2H-indazol-1-yl]-methyl-phosphanyl]boron Openeye Name: [[(3Z)-3-(4-acetylbenzimidazol-2-ylidene)-5-(4-isoquinolyl)-2H-indazol-1-yl]-methyl-phosphanyl]boron CAS Name: [[(3Z)-3-(4-acetyl-2-benzimidazolylidene)-5-(4-isoquinolinyl)-2H-indazol-1-yl]-methylphosphino]boron IUPAC Name: [[(3Z)-3-(4-acetylbenzimidazol-2-ylidene)-5-isoquinolin-4-yl-2H-indazol-1-yl]-methylphosphanyl]boron Traditional Name: [[(3Z)-3-(4-acetylbenzimidazol-2-ylidene)-5-(4-isoquinolyl)indazolin-1-yl]-methyl-phosphino]boron Formula: C26H19BN5OP MolecularWeight: 459.246721

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=C(C6=N5)C(=O)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=C(C6=N5)C(=O)C)/N1

InChI

InChI=1S/C26H19BN5OP/c1-15(33)18-8-5-9-22-24(18)30-26(29-22)25-20-12-16(10-11-23(20)32(31-25)34(2)27)21-14-28-13-17-6-3-4-7-19(17)21/h3-14,31H,1-2H3/b26-25-