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

Systemtic Name: tert-butyl 4-[[7-chloranyl-2-[(4-methoxyphenyl)methyl]-1-oxidanylidene-isoquinolin-6-yl]-methyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[7-chloro-2-[(4-methoxyphenyl)methyl]-1-oxo-6-isoquinolyl]-methyl-amino]piperidine-1-carboxylate CAS Name: 4-[[7-chloro-2-[(4-methoxyphenyl)methyl]-1-oxo-6-isoquinolinyl]-methylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[7-chloro-2-[(4-methoxyphenyl)methyl]-1-oxoisoquinolin-6-yl]-methylamino]piperidine-1-carboxylate Traditional Name: 4-[(7-chloro-1-keto-2-p-anisyl-6-isoquinolyl)-methyl-amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H34ClN3O4 MolecularWeight: 512.04026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N(C)C2=C(C=C3C(=C2)C=CN(C3=O)CC4=CC=C(C=C4)OC)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N(C)C2=C(C=C3C(=C2)C=CN(C3=O)CC4=CC=C(C=C4)OC)Cl

InChI

InChI=1S/C28H34ClN3O4/c1-28(2,3)36-27(34)31-14-11-21(12-15-31)30(4)25-16-20-10-13-32(26(33)23(20)17-24(25)29)18-19-6-8-22(35-5)9-7-19/h6-10,13,16-17,21H,11-12,14-15,18H2,1-5H3