[4-[(2-bromophenyl)amino]-4-ethynyl-piperidin-1-yl]-methyl-borinic acid

Systemtic Name: [4-[(2-bromophenyl)amino]-4-ethynyl-piperidin-1-yl]-methyl-borinic acid Openeye Name: [4-(2-bromoanilino)-4-ethynyl-1-piperidyl]-methyl-borinic acid CAS Name: [4-(2-bromoanilino)-4-ethynyl-1-piperidinyl]-methylborinic acid IUPAC Name: [4-(2-bromoanilino)-4-ethynylpiperidin-1-yl]-methylborinic acid Traditional Name: [4-(2-bromoanilino)-4-ethynyl-piperidino]-methyl-borinic acid Formula: C14H18BBrN2O MolecularWeight: 321.02052

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1CCC(CC1)(C#C)NC2=CC=CC=C2Br)O

Isomeric SMILES

B(C)(N1CCC(CC1)(C#C)NC2=CC=CC=C2Br)O

InChI

InChI=1S/C14H18BBrN2O/c1-3-14(8-10-18(11-9-14)15(2)19)17-13-7-5-4-6-12(13)16/h1,4-7,17,19H,8-11H2,2H3