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

Systemtic Name: tert-butyl N-[[6-(2-azanyl-2-oxidanylidene-ethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-(2-amino-2-oxo-ethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[6-(2-amino-2-oxoethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-(2-amino-2-oxoethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[6-(2-amino-2-keto-ethyl)-4-butoxy-1-keto-2-neopentyl-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C26H39N3O5 MolecularWeight: 473.60496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39N3O5/c1-8-9-12-33-22-19-13-17(14-21(27)30)10-11-18(19)23(31)29(16-25(2,3)4)20(22)15-28-24(32)34-26(5,6)7/h10-11,13H,8-9,12,14-16H2,1-7H3,(H2,27,30)(H,28,32)