tert-butyl 4-[[(3-azanylquinolin-4-yl)amino]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(3-azanylquinolin-4-yl)amino]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[(3-amino-4-quinolyl)amino]methyl]piperazine-1-carboxylate CAS Name: 4-[[(3-amino-4-quinolinyl)amino]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(3-aminoquinolin-4-yl)amino]methyl]piperazine-1-carboxylate Traditional Name: 4-[[(3-amino-4-quinolyl)amino]methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H27N5O2 MolecularWeight: 357.44998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CNC2=C(C=NC3=CC=CC=C32)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CNC2=C(C=NC3=CC=CC=C32)N

InChI

InChI=1S/C19H27N5O2/c1-19(2,3)26-18(25)24-10-8-23(9-11-24)13-22-17-14-6-4-5-7-16(14)21-12-15(17)20/h4-7,12H,8-11,13,20H2,1-3H3,(H,21,22)