tert-butyl 4-[(3-cyano-6-methoxy-1-oxidanylidene-4-phenyl-isoquinolin-2-yl)methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3-cyano-6-methoxy-1-oxidanylidene-4-phenyl-isoquinolin-2-yl)methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(3-cyano-6-methoxy-1-oxo-4-phenyl-2-isoquinolyl)methyl]piperidine-1-carboxylate CAS Name: 4-[(3-cyano-6-methoxy-1-oxo-4-phenyl-2-isoquinolinyl)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3-cyano-6-methoxy-1-oxo-4-phenylisoquinolin-2-yl)methyl]piperidine-1-carboxylate Traditional Name: 4-[(3-cyano-1-keto-6-methoxy-4-phenyl-2-isoquinolyl)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN2C(=C(C3=C(C2=O)C=CC(=C3)OC)C4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2C(=C(C3=C(C2=O)C=CC(=C3)OC)C4=CC=CC=C4)C#N

InChI

InChI=1S/C28H31N3O4/c1-28(2,3)35-27(33)30-14-12-19(13-15-30)18-31-24(17-29)25(20-8-6-5-7-9-20)23-16-21(34-4)10-11-22(23)26(31)32/h5-11,16,19H,12-15,18H2,1-4H3