tert-butyl 4-[2-[(7-bromanyl-3-nitro-quinolin-4-yl)amino]ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(7-bromanyl-3-nitro-quinolin-4-yl)amino]ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(7-bromo-3-nitro-4-quinolyl)amino]ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[(7-bromo-3-nitro-4-quinolinyl)amino]ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(7-bromo-3-nitroquinolin-4-yl)amino]ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(7-bromo-3-nitro-4-quinolyl)amino]ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H26BrN5O4 MolecularWeight: 480.35554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCNC2=C3C=CC(=CC3=NC=C2[N+](=O)[O-])Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCNC2=C3C=CC(=CC3=NC=C2[N+](=O)[O-])Br

InChI

InChI=1S/C20H26BrN5O4/c1-20(2,3)30-19(27)25-10-8-24(9-11-25)7-6-22-18-15-5-4-14(21)12-16(15)23-13-17(18)26(28)29/h4-5,12-13H,6-11H2,1-3H3,(H,22,23)