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

Systemtic Name: [[(3Z)-3-[4-(diethylaminomethyl)benzimidazol-2-ylidene]-5-isoquinolin-4-yl-2H-indazol-1-yl]-methyl-phosphanyl]boron Openeye Name: [[(3Z)-3-[4-(diethylaminomethyl)benzimidazol-2-ylidene]-5-(4-isoquinolyl)-2H-indazol-1-yl]-methyl-phosphanyl]boron CAS Name: [[(3Z)-3-[4-(diethylaminomethyl)-2-benzimidazolylidene]-5-(4-isoquinolinyl)-2H-indazol-1-yl]-methylphosphino]boron IUPAC Name: [[(3Z)-3-[4-(diethylaminomethyl)benzimidazol-2-ylidene]-5-isoquinolin-4-yl-2H-indazol-1-yl]-methylphosphanyl]boron Traditional Name: [[(3Z)-3-[4-(diethylaminomethyl)benzimidazol-2-ylidene]-5-(4-isoquinolyl)indazolin-1-yl]-methyl-phosphino]boron Formula: C29H28BN6P MolecularWeight: 502.357581

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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)CN(CC)CC)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)CN(CC)CC)/N1

InChI

InChI=1S/C29H28BN6P/c1-4-35(5-2)18-21-10-8-12-25-27(21)33-29(32-25)28-23-15-19(13-14-26(23)36(34-28)37(3)30)24-17-31-16-20-9-6-7-11-22(20)24/h6-17,34H,4-5,18H2,1-3H3/b29-28-