tert-butyl N-[4-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]carbonylphenyl]carbamate

Systemtic Name: tert-butyl N-[4-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]carbonylphenyl]carbamate Openeye Name: tert-butyl N-[4-[4-(5-bromo-2-pyridyl)piperazine-1-carbonyl]phenyl]carbamate CAS Name: N-[4-[[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-(5-bromopyridin-2-yl)piperazine-1-carbonyl]phenyl]carbamate Traditional Name: N-[4-[4-(5-bromo-2-pyridyl)piperazine-1-carbonyl]phenyl]carbamic acid tert-butyl ester Formula: C21H25BrN4O3 MolecularWeight: 461.3522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN4O3/c1-21(2,3)29-20(28)24-17-7-4-15(5-8-17)19(27)26-12-10-25(11-13-26)18-9-6-16(22)14-23-18/h4-9,14H,10-13H2,1-3H3,(H,24,28)