tert-butyl 4-[[(3-azanyl-7-bromanyl-quinolin-4-yl)amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(3-azanyl-7-bromanyl-quinolin-4-yl)amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[(3-amino-7-bromo-4-quinolyl)amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[(3-amino-7-bromo-4-quinolinyl)amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(3-amino-7-bromoquinolin-4-yl)amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[(3-amino-7-bromo-4-quinolyl)amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H27BrN4O2 MolecularWeight: 435.35798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CNC2=C3C=CC(=CC3=NC=C2N)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CNC2=C3C=CC(=CC3=NC=C2N)Br

InChI

InChI=1S/C20H27BrN4O2/c1-20(2,3)27-19(26)25-8-6-13(7-9-25)11-24-18-15-5-4-14(21)10-17(15)23-12-16(18)22/h4-5,10,12-13H,6-9,11,22H2,1-3H3,(H,23,24)