tert-butyl N-[[4-[[(3-azanyl-7-bromanyl-quinolin-4-yl)amino]methyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[[(3-azanyl-7-bromanyl-quinolin-4-yl)amino]methyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[[(3-amino-7-bromo-4-quinolyl)amino]methyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[(3-amino-7-bromo-4-quinolinyl)amino]methyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[[(3-amino-7-bromoquinolin-4-yl)amino]methyl]phenyl]methyl]carbamate Traditional Name: N-[4-[[(3-amino-7-bromo-4-quinolyl)amino]methyl]benzyl]carbamic acid tert-butyl ester Formula: C22H25BrN4O2 MolecularWeight: 457.3635

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)CNC2=C3C=CC(=CC3=NC=C2N)Br

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)CNC2=C3C=CC(=CC3=NC=C2N)Br

InChI

InChI=1S/C22H25BrN4O2/c1-22(2,3)29-21(28)27-12-15-6-4-14(5-7-15)11-26-20-17-9-8-16(23)10-19(17)25-13-18(20)24/h4-10,13H,11-12,24H2,1-3H3,(H,25,26)(H,27,28)