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

Systemtic Name: 3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-6-(1,3-oxazol-5-yl)isoquinolin-1-one Openeye Name: 3-(aminomethyl)-4-butoxy-2-isobutyl-6-oxazol-5-yl-isoquinolin-1-one CAS Name: 3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-6-(5-oxazolyl)-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-6-(1,3-oxazol-5-yl)isoquinolin-1-one Traditional Name: 3-(aminomethyl)-4-butoxy-2-isobutyl-6-oxazol-5-yl-isocarbostyril Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=CN=CO3)CC(C)C)CN

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=CN=CO3)CC(C)C)CN

InChI

InChI=1S/C21H27N3O3/c1-4-5-8-26-20-17-9-15(19-11-23-13-27-19)6-7-16(17)21(25)24(12-14(2)3)18(20)10-22/h6-7,9,11,13-14H,4-5,8,10,12,22H2,1-3H3