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

Systemtic Name: [[(3Z)-5-isoquinolin-4-yl-3-[4-(pyrrolidin-1-ylmethyl)benzimidazol-2-ylidene]-2H-indazol-1-yl]-methyl-phosphanyl]boron Openeye Name: [[(3Z)-5-(4-isoquinolyl)-3-[4-(pyrrolidin-1-ylmethyl)benzimidazol-2-ylidene]-2H-indazol-1-yl]-methyl-phosphanyl]boron CAS Name: [[(3Z)-5-(4-isoquinolinyl)-3-[4-(1-pyrrolidinylmethyl)-2-benzimidazolylidene]-2H-indazol-1-yl]-methylphosphino]boron IUPAC Name: [[(3Z)-5-isoquinolin-4-yl-3-[4-(pyrrolidin-1-ylmethyl)benzimidazol-2-ylidene]-2H-indazol-1-yl]-methylphosphanyl]boron Traditional Name: [[(3Z)-5-(4-isoquinolyl)-3-[4-(pyrrolidinomethyl)benzimidazol-2-ylidene]indazolin-1-yl]-methyl-phosphino]boron Formula: C29H26BN6P MolecularWeight: 500.341701

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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)CN7CCCC7)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)CN7CCCC7)/N1

InChI

InChI=1S/C29H26BN6P/c1-37(30)36-26-12-11-19(24-17-31-16-20-7-2-3-9-22(20)24)15-23(26)28(34-36)29-32-25-10-6-8-21(27(25)33-29)18-35-13-4-5-14-35/h2-3,6-12,15-17,34H,4-5,13-14,18H2,1H3/b29-28-