tert-butyl N-(2-bromanylethanoyl)-N-[2-[(1-pyridin-4-ylpiperidin-2-yl)methylamino]ethyl]carbamate

Systemtic Name: tert-butyl N-(2-bromanylethanoyl)-N-[2-[(1-pyridin-4-ylpiperidin-2-yl)methylamino]ethyl]carbamate Openeye Name: tert-butyl N-(2-bromoacetyl)-N-[2-[[1-(4-pyridyl)-2-piperidyl]methylamino]ethyl]carbamate CAS Name: N-(2-bromo-1-oxoethyl)-N-[2-[(1-pyridin-4-yl-2-piperidinyl)methylamino]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(2-bromoacetyl)-N-[2-[(1-pyridin-4-ylpiperidin-2-yl)methylamino]ethyl]carbamate Traditional Name: N-(2-bromoacetyl)-N-[2-[[1-(4-pyridyl)-2-piperidyl]methylamino]ethyl]carbamic acid tert-butyl ester Formula: C20H31BrN4O3 MolecularWeight: 455.38914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCNCC1CCCCN1C2=CC=NC=C2)C(=O)CBr

Isomeric SMILES

CC(C)(C)OC(=O)N(CCNCC1CCCCN1C2=CC=NC=C2)C(=O)CBr

InChI

InChI=1S/C20H31BrN4O3/c1-20(2,3)28-19(27)25(18(26)14-21)13-11-23-15-17-6-4-5-12-24(17)16-7-9-22-10-8-16/h7-10,17,23H,4-6,11-15H2,1-3H3