tert-butyl 4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(7-methoxy-8-quinolyl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[4-(7-methoxy-8-quinolinyl)-1,4-diazepan-1-yl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[4-(7-methoxy-8-quinolyl)-1,4-diazepan-1-yl]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H38N4O3 MolecularWeight: 454.60492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN2CCCN(CC2)C3=C(C=CC4=C3N=CC=C4)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2CCCN(CC2)C3=C(C=CC4=C3N=CC=C4)OC

InChI

InChI=1S/C26H38N4O3/c1-26(2,3)33-25(31)30-15-10-20(11-16-30)19-28-13-6-14-29(18-17-28)24-22(32-4)9-8-21-7-5-12-27-23(21)24/h5,7-9,12,20H,6,10-11,13-19H2,1-4H3