3-(aminomethyl)-4-butoxy-6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-(2-methylpropyl)isoquinolin-1-one

Systemtic Name: 3-(aminomethyl)-4-butoxy-6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-(2-methylpropyl)isoquinolin-1-one Openeye Name: 3-(aminomethyl)-4-butoxy-2-isobutyl-6-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-one CAS Name: 3-(aminomethyl)-4-butoxy-6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-(2-methylpropyl)-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-4-butoxy-6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-(2-methylpropyl)isoquinolin-1-one Traditional Name: 3-(aminomethyl)-4-butoxy-2-isobutyl-6-(5-methyl-1,2,4-oxadiazol-3-yl)isocarbostyril Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NOC(=N3)C)CC(C)C)CN

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NOC(=N3)C)CC(C)C)CN

InChI

InChI=1S/C21H28N4O3/c1-5-6-9-27-19-17-10-15(20-23-14(4)28-24-20)7-8-16(17)21(26)25(12-13(2)3)18(19)11-22/h7-8,10,13H,5-6,9,11-12,22H2,1-4H3