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

Systemtic Name: [[(3Z)-3-[4-(imidazol-1-ylmethyl)benzimidazol-2-ylidene]-5-isoquinolin-4-yl-2H-indazol-1-yl]-methyl-phosphanyl]boron Openeye Name: [[(3Z)-3-[4-(imidazol-1-ylmethyl)benzimidazol-2-ylidene]-5-(4-isoquinolyl)-2H-indazol-1-yl]-methyl-phosphanyl]boron CAS Name: [[(3Z)-3-[4-(1-imidazolylmethyl)-2-benzimidazolylidene]-5-(4-isoquinolinyl)-2H-indazol-1-yl]-methylphosphino]boron IUPAC Name: [[(3Z)-3-[4-(imidazol-1-ylmethyl)benzimidazol-2-ylidene]-5-isoquinolin-4-yl-2H-indazol-1-yl]-methylphosphanyl]boron Traditional Name: [[(3Z)-3-[4-(imidazol-1-ylmethyl)benzimidazol-2-ylidene]-5-(4-isoquinolyl)indazolin-1-yl]-methyl-phosphino]boron Formula: C28H21BN7P MolecularWeight: 497.298001

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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)CN7C=CN=C7)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)CN7C=CN=C7)/N1

InChI

InChI=1S/C28H21BN7P/c1-37(29)36-25-10-9-18(23-15-31-14-19-5-2-3-7-21(19)23)13-22(25)27(34-36)28-32-24-8-4-6-20(26(24)33-28)16-35-12-11-30-17-35/h2-15,17,34H,16H2,1H3/b28-27-