N-[[4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-6-(5-oxidanylidene-2H-1,2,4-oxadiazol-3-yl)isoquinolin-3-yl]methyl]carbamate

Systemtic Name: N-[[4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-6-(5-oxidanylidene-2H-1,2,4-oxadiazol-3-yl)isoquinolin-3-yl]methyl]carbamate Openeye Name: N-[[4-butoxy-2-isobutyl-1-oxo-6-(5-oxo-2H-1,2,4-oxadiazol-3-yl)-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-2-(2-methylpropyl)-1-oxo-6-(5-oxo-2H-1,2,4-oxadiazol-3-yl)-3-isoquinolinyl]methyl]carbamate IUPAC Name: N-[[4-butoxy-2-(2-methylpropyl)-1-oxo-6-(5-oxo-2H-1,2,4-oxadiazol-3-yl)isoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[4-butoxy-2-isobutyl-1-keto-6-(5-keto-2H-1,2,4-oxadiazol-3-yl)-3-isoquinolyl]methyl]carbamate Formula: C21H25N4O6- MolecularWeight: 429.4464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NC(=O)ON3)CC(C)C)CNC(=O)[O-]

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NC(=O)ON3)CC(C)C)CNC(=O)[O-]

InChI

InChI=1S/C21H26N4O6/c1-4-5-8-30-17-15-9-13(18-23-21(29)31-24-18)6-7-14(15)19(26)25(11-12(2)3)16(17)10-22-20(27)28/h6-7,9,12,22H,4-5,8,10-11H2,1-3H3,(H,27,28)(H,23,24,29)/p-1