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

Systemtic Name: N-[1-(2-cyanophenyl)piperidin-4-yl]-methyl-N-(pyrrolidin-3-ylmethyl)boronamidic acid Openeye Name: N-[1-(2-cyanophenyl)-4-piperidyl]-methyl-N-(pyrrolidin-3-ylmethyl)boronamidic acid CAS Name: N-[1-(2-cyanophenyl)-4-piperidinyl]-methyl-N-(3-pyrrolidinylmethyl)boronamidic acid IUPAC Name: N-[1-(2-cyanophenyl)piperidin-4-yl]-methyl-N-(pyrrolidin-3-ylmethyl)boronamidic acid Traditional Name: N-[1-(2-cyanophenyl)-4-piperidyl]-methyl-N-(pyrrolidin-3-ylmethyl)boronamidic acid Formula: C18H27BN4O MolecularWeight: 326.24418

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N(CC1CCNC1)C2CCN(CC2)C3=CC=CC=C3C#N)O

Isomeric SMILES

B(C)(N(CC1CCNC1)C2CCN(CC2)C3=CC=CC=C3C#N)O

InChI

InChI=1S/C18H27BN4O/c1-19(24)23(14-15-6-9-21-13-15)17-7-10-22(11-8-17)18-5-3-2-4-16(18)12-20/h2-5,15,17,21,24H,6-11,13-14H2,1H3