3-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]-2H-1,2,4-oxadiazol-5-one

Systemtic Name: 3-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]-2H-1,2,4-oxadiazol-5-one Openeye Name: 3-[3-(aminomethyl)-4-butoxy-2-isobutyl-1-oxo-6-isoquinolyl]-2H-1,2,4-oxadiazol-5-one CAS Name: 3-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxo-6-isoquinolinyl]-2H-1,2,4-oxadiazol-5-one IUPAC Name: 3-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxoisoquinolin-6-yl]-2H-1,2,4-oxadiazol-5-one Traditional Name: 3-[3-(aminomethyl)-4-butoxy-2-isobutyl-1-keto-6-isoquinolyl]-2H-1,2,4-oxadiazol-5-one Formula: C20H26N4O4 MolecularWeight: 386.44484

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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)CN

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NC(=O)ON3)CC(C)C)CN

InChI

InChI=1S/C20H26N4O4/c1-4-5-8-27-17-15-9-13(18-22-20(26)28-23-18)6-7-14(15)19(25)24(11-12(2)3)16(17)10-21/h6-7,9,12H,4-5,8,10-11,21H2,1-3H3,(H,22,23,26)