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

Systemtic Name: [[(3Z)-3-[4-(2-hydroxyethyl)benzimidazol-2-ylidene]-5-isoquinolin-4-yl-2H-indazol-1-yl]-methyl-phosphanyl]boron Openeye Name: [[(3Z)-3-[4-(2-hydroxyethyl)benzimidazol-2-ylidene]-5-(4-isoquinolyl)-2H-indazol-1-yl]-methyl-phosphanyl]boron CAS Name: [[(3Z)-3-[4-(2-hydroxyethyl)-2-benzimidazolylidene]-5-(4-isoquinolinyl)-2H-indazol-1-yl]-methylphosphino]boron IUPAC Name: [[(3Z)-3-[4-(2-hydroxyethyl)benzimidazol-2-ylidene]-5-isoquinolin-4-yl-2H-indazol-1-yl]-methylphosphanyl]boron Traditional Name: [[(3Z)-3-[4-(2-hydroxyethyl)benzimidazol-2-ylidene]-5-(4-isoquinolyl)indazolin-1-yl]-methyl-phosphino]boron Formula: C26H21BN5OP MolecularWeight: 461.262601

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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)CCO)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)CCO)/N1

InChI

InChI=1S/C26H21BN5OP/c1-34(27)32-23-10-9-17(21-15-28-14-18-5-2-3-7-19(18)21)13-20(23)25(31-32)26-29-22-8-4-6-16(11-12-33)24(22)30-26/h2-10,13-15,31,33H,11-12H2,1H3/b26-25-