tert-butyl 4-quinolin-3-yl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-quinolin-3-yl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(3-quinolyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(3-quinolinyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-quinolin-3-yl-1,4-diazepane-1-carboxylate Traditional Name: 4-(3-quinolyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C19H25N3O2 MolecularWeight: 327.4207

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC3=CC=CC=C3N=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C19H25N3O2/c1-19(2,3)24-18(23)22-10-6-9-21(11-12-22)16-13-15-7-4-5-8-17(15)20-14-16/h4-5,7-8,13-14H,6,9-12H2,1-3H3