[2-aminocarbonyl-3-[4-chloranyl-3-(4-methylpiperazin-1-yl)phenyl]phenyl]boronic acid

Systemtic Name: [2-aminocarbonyl-3-[4-chloranyl-3-(4-methylpiperazin-1-yl)phenyl]phenyl]boronic acid Openeye Name: [2-carbamoyl-3-[4-chloro-3-(4-methylpiperazin-1-yl)phenyl]phenyl]boronic acid CAS Name: [2-carbamoyl-3-[4-chloro-3-(4-methyl-1-piperazinyl)phenyl]phenyl]boronic acid IUPAC Name: [2-carbamoyl-3-[4-chloro-3-(4-methylpiperazin-1-yl)phenyl]phenyl]boronic acid Traditional Name: [2-carbamoyl-3-[4-chloro-3-(4-methylpiperazino)phenyl]phenyl]boronic acid Formula: C18H21BClN3O3 MolecularWeight: 373.64164

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=C(C(=CC=C1)C2=CC(=C(C=C2)Cl)N3CCN(CC3)C)C(=O)N)(O)O

Isomeric SMILES

B(C1=C(C(=CC=C1)C2=CC(=C(C=C2)Cl)N3CCN(CC3)C)C(=O)N)(O)O

InChI

InChI=1S/C18H21BClN3O3/c1-22-7-9-23(10-8-22)16-11-12(5-6-15(16)20)13-3-2-4-14(19(25)26)17(13)18(21)24/h2-6,11,25-26H,7-10H2,1H3,(H2,21,24)