tert-butyl 4-(4-azanyl-6,7-dimethoxy-5-phenyl-quinolin-2-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(4-azanyl-6,7-dimethoxy-5-phenyl-quinolin-2-yl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(4-amino-6,7-dimethoxy-5-phenyl-2-quinolyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(4-amino-6,7-dimethoxy-5-phenyl-2-quinolinyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-amino-6,7-dimethoxy-5-phenylquinolin-2-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(4-amino-6,7-dimethoxy-5-phenyl-2-quinolyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=NC3=CC(=C(C(=C3C(=C2)N)C4=CC=CC=C4)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=NC3=CC(=C(C(=C3C(=C2)N)C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C27H34N4O4/c1-27(2,3)35-26(32)31-13-9-12-30(14-15-31)22-16-19(28)24-20(29-22)17-21(33-4)25(34-5)23(24)18-10-7-6-8-11-18/h6-8,10-11,16-17H,9,12-15H2,1-5H3,(H2,28,29)