[3-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-4-oxidanyl-pyrrolidin-1-yl]-methyl-borinic acid

Systemtic Name: [3-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-4-oxidanyl-pyrrolidin-1-yl]-methyl-borinic acid Openeye Name: [3-[[1-(2-cyanophenyl)-4-piperidyl]amino]-4-hydroxy-pyrrolidin-1-yl]-methyl-borinic acid CAS Name: [3-[[1-(2-cyanophenyl)-4-piperidinyl]amino]-4-hydroxy-1-pyrrolidinyl]-methylborinic acid IUPAC Name: [3-[[1-(2-cyanophenyl)piperidin-4-yl]amino]-4-hydroxypyrrolidin-1-yl]-methylborinic acid Traditional Name: [3-[[1-(2-cyanophenyl)-4-piperidyl]amino]-4-hydroxy-pyrrolidino]-methyl-borinic acid Formula: C17H25BN4O2 MolecularWeight: 328.217

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1CC(C(C1)O)NC2CCN(CC2)C3=CC=CC=C3C#N)O

Isomeric SMILES

B(C)(N1CC(C(C1)O)NC2CCN(CC2)C3=CC=CC=C3C#N)O

InChI

InChI=1S/C17H25BN4O2/c1-18(24)22-11-15(17(23)12-22)20-14-6-8-21(9-7-14)16-5-3-2-4-13(16)10-19/h2-5,14-15,17,20,23-24H,6-9,11-12H2,1H3