methyl-N-[1-[2-(5-oxidanylbenzimidazol-1-yl)quinolin-8-yl]piperidin-4-yl]boronamidic acid

Systemtic Name: methyl-N-[1-[2-(5-oxidanylbenzimidazol-1-yl)quinolin-8-yl]piperidin-4-yl]boronamidic acid Openeye Name: N-[1-[2-(5-hydroxybenzimidazol-1-yl)-8-quinolyl]-4-piperidyl]-methyl-boronamidic acid CAS Name: N-[1-[2-(5-hydroxy-1-benzimidazolyl)-8-quinolinyl]-4-piperidinyl]-methylboronamidic acid IUPAC Name: N-[1-[2-(5-hydroxybenzimidazol-1-yl)quinolin-8-yl]piperidin-4-yl]-methylboronamidic acid Traditional Name: N-[1-[2-(5-hydroxybenzimidazol-1-yl)-8-quinolyl]-4-piperidyl]-methyl-boronamidic acid Formula: C22H24BN5O2 MolecularWeight: 401.26926

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(NC1CCN(CC1)C2=CC=CC3=C2N=C(C=C3)N4C=NC5=C4C=CC(=C5)O)O

Isomeric SMILES

B(C)(NC1CCN(CC1)C2=CC=CC3=C2N=C(C=C3)N4C=NC5=C4C=CC(=C5)O)O

InChI

InChI=1S/C22H24BN5O2/c1-23(30)26-16-9-11-27(12-10-16)20-4-2-3-15-5-8-21(25-22(15)20)28-14-24-18-13-17(29)6-7-19(18)28/h2-8,13-14,16,26,29-30H,9-12H2,1H3