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

Systemtic Name: [[(3Z)-3-[4-(hydroxymethyl)benzimidazol-2-ylidene]-5-isoquinolin-4-yl-2H-indazol-1-yl]-methyl-phosphanyl]boron Openeye Name: [[(3Z)-3-[4-(hydroxymethyl)benzimidazol-2-ylidene]-5-(4-isoquinolyl)-2H-indazol-1-yl]-methyl-phosphanyl]boron CAS Name: [[(3Z)-3-[4-(hydroxymethyl)-2-benzimidazolylidene]-5-(4-isoquinolinyl)-2H-indazol-1-yl]-methylphosphino]boron IUPAC Name: [[(3Z)-3-[4-(hydroxymethyl)benzimidazol-2-ylidene]-5-isoquinolin-4-yl-2H-indazol-1-yl]-methylphosphanyl]boron Traditional Name: [[(3Z)-5-(4-isoquinolyl)-3-(4-methylolbenzimidazol-2-ylidene)indazolin-1-yl]-methyl-phosphino]boron Formula: C25H19BN5OP MolecularWeight: 447.236021

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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)CO)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)CO)/N1

InChI

InChI=1S/C25H19BN5OP/c1-33(26)31-22-10-9-15(20-13-27-12-16-5-2-3-7-18(16)20)11-19(22)24(30-31)25-28-21-8-4-6-17(14-32)23(21)29-25/h2-13,30,32H,14H2,1H3/b25-24-