tert-butyl N-[4-butoxy-6-(cyanomethyl)-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-3-yl]-N-methyl-carbamate

Systemtic Name: tert-butyl N-[4-butoxy-6-(cyanomethyl)-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-3-yl]-N-methyl-carbamate Openeye Name: tert-butyl N-[4-butoxy-6-(cyanomethyl)-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolyl]-N-methyl-carbamate CAS Name: N-[4-butoxy-6-(cyanomethyl)-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolinyl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-butoxy-6-(cyanomethyl)-2-(2,2-dimethylpropyl)-1-oxoisoquinolin-3-yl]-N-methylcarbamate Traditional Name: N-[4-butoxy-6-(cyanomethyl)-1-keto-2-neopentyl-3-isoquinolyl]-N-methyl-carbamic acid tert-butyl ester Formula: C26H37N3O4 MolecularWeight: 455.58968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)CC#N)CC(C)(C)C)N(C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)CC#N)CC(C)(C)C)N(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H37N3O4/c1-9-10-15-32-21-20-16-18(13-14-27)11-12-19(20)23(30)29(17-25(2,3)4)22(21)28(8)24(31)33-26(5,6)7/h11-12,16H,9-10,13,15,17H2,1-8H3