tert-butyl 3-[[4-(7-methoxy-6-methyl-quinolin-8-yl)-1,4-diazepan-1-yl]methyl]azetidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[4-(7-methoxy-6-methyl-quinolin-8-yl)-1,4-diazepan-1-yl]methyl]azetidine-1-carboxylate Openeye Name: tert-butyl 3-[[4-(7-methoxy-6-methyl-8-quinolyl)-1,4-diazepan-1-yl]methyl]azetidine-1-carboxylate CAS Name: 3-[[4-(7-methoxy-6-methyl-8-quinolinyl)-1,4-diazepan-1-yl]methyl]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-(7-methoxy-6-methylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]azetidine-1-carboxylate Traditional Name: 3-[[4-(7-methoxy-6-methyl-8-quinolyl)-1,4-diazepan-1-yl]methyl]azetidine-1-carboxylic acid tert-butyl ester Formula: C25H36N4O3 MolecularWeight: 440.57834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1)C=CC=N2)N3CCCN(CC3)CC4CN(C4)C(=O)OC(C)(C)C)OC

Isomeric SMILES

CC1=C(C(=C2C(=C1)C=CC=N2)N3CCCN(CC3)CC4CN(C4)C(=O)OC(C)(C)C)OC

InChI

InChI=1S/C25H36N4O3/c1-18-14-20-8-6-9-26-21(20)22(23(18)31-5)28-11-7-10-27(12-13-28)15-19-16-29(17-19)24(30)32-25(2,3)4/h6,8-9,14,19H,7,10-13,15-17H2,1-5H3