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

Systemtic Name: tert-butyl N-[[6-(3-azanyl-3-oxidanylidene-propyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-(3-amino-3-oxo-propyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[6-(3-amino-3-oxopropyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-(3-amino-3-oxopropyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[6-(3-amino-3-keto-propyl)-4-butoxy-1-keto-2-neopentyl-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C27H41N3O5 MolecularWeight: 487.63154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41N3O5/c1-8-9-14-34-23-20-15-18(11-13-22(28)31)10-12-19(20)24(32)30(17-26(2,3)4)21(23)16-29-25(33)35-27(5,6)7/h10,12,15H,8-9,11,13-14,16-17H2,1-7H3,(H2,28,31)(H,29,33)