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

Systemtic Name: tert-butyl 4-[[7-chloranyl-2-[(4-methoxyphenyl)methyl]-1-oxidanylidene-isoquinolin-6-yl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[7-chloro-2-[(4-methoxyphenyl)methyl]-1-oxo-6-isoquinolyl]amino]piperidine-1-carboxylate CAS Name: 4-[[7-chloro-2-[(4-methoxyphenyl)methyl]-1-oxo-6-isoquinolinyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[7-chloro-2-[(4-methoxyphenyl)methyl]-1-oxoisoquinolin-6-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[(7-chloro-1-keto-2-p-anisyl-6-isoquinolyl)amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H32ClN3O4 MolecularWeight: 498.01368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NC2=C(C=C3C(=C2)C=CN(C3=O)CC4=CC=C(C=C4)OC)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NC2=C(C=C3C(=C2)C=CN(C3=O)CC4=CC=C(C=C4)OC)Cl

InChI

InChI=1S/C27H32ClN3O4/c1-27(2,3)35-26(33)30-13-10-20(11-14-30)29-24-15-19-9-12-31(25(32)22(19)16-23(24)28)17-18-5-7-21(34-4)8-6-18/h5-9,12,15-16,20,29H,10-11,13-14,17H2,1-4H3