N-(azetidin-3-ylmethyl)-N-[1-(2-cyanophenyl)piperidin-4-yl]-methyl-boronamidic acid

Systemtic Name: N-(azetidin-3-ylmethyl)-N-[1-(2-cyanophenyl)piperidin-4-yl]-methyl-boronamidic acid Openeye Name: N-(azetidin-3-ylmethyl)-N-[1-(2-cyanophenyl)-4-piperidyl]-methyl-boronamidic acid CAS Name: N-(3-azetidinylmethyl)-N-[1-(2-cyanophenyl)-4-piperidinyl]-methylboronamidic acid IUPAC Name: N-(azetidin-3-ylmethyl)-N-[1-(2-cyanophenyl)piperidin-4-yl]-methylboronamidic acid Traditional Name: N-(azetidin-3-ylmethyl)-N-[1-(2-cyanophenyl)-4-piperidyl]-methyl-boronamidic acid Formula: C17H25BN4O MolecularWeight: 312.2176

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N(CC1CNC1)C2CCN(CC2)C3=CC=CC=C3C#N)O

Isomeric SMILES

B(C)(N(CC1CNC1)C2CCN(CC2)C3=CC=CC=C3C#N)O

InChI

InChI=1S/C17H25BN4O/c1-18(23)22(13-14-11-20-12-14)16-6-8-21(9-7-16)17-5-3-2-4-15(17)10-19/h2-5,14,16,20,23H,6-9,11-13H2,1H3