tert-butyl 4-[[7-chloranyl-2-[(4-methoxyphenyl)methyl]-1-oxidanylidene-isoquinolin-6-yl]-ethyl-amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[7-chloranyl-2-[(4-methoxyphenyl)methyl]-1-oxidanylidene-isoquinolin-6-yl]-ethyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[7-chloro-2-[(4-methoxyphenyl)methyl]-1-oxo-6-isoquinolyl]-ethyl-amino]piperidine-1-carboxylate CAS Name: 4-[[7-chloro-2-[(4-methoxyphenyl)methyl]-1-oxo-6-isoquinolinyl]-ethylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[7-chloro-2-[(4-methoxyphenyl)methyl]-1-oxoisoquinolin-6-yl]-ethylamino]piperidine-1-carboxylate Traditional Name: 4-[(7-chloro-1-keto-2-p-anisyl-6-isoquinolyl)-ethyl-amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H36ClN3O4 MolecularWeight: 526.06684

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCN(CC1)C(=O)OC(C)(C)C)C2=C(C=C3C(=C2)C=CN(C3=O)CC4=CC=C(C=C4)OC)Cl

Isomeric SMILES

CCN(C1CCN(CC1)C(=O)OC(C)(C)C)C2=C(C=C3C(=C2)C=CN(C3=O)CC4=CC=C(C=C4)OC)Cl

InChI

InChI=1S/C29H36ClN3O4/c1-6-33(22-12-15-31(16-13-22)28(35)37-29(2,3)4)26-17-21-11-14-32(27(34)24(21)18-25(26)30)19-20-7-9-23(36-5)10-8-20/h7-11,14,17-18,22H,6,12-13,15-16,19H2,1-5H3