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

Systemtic Name: 3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-1-one Openeye Name: 3-(aminomethyl)-4-butoxy-2-isobutyl-6-(4-methylthiazol-2-yl)isoquinolin-1-one CAS Name: 3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-6-(4-methyl-2-thiazolyl)-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-6-(4-methyl-1,3-thiazol-2-yl)isoquinolin-1-one Traditional Name: 3-(aminomethyl)-4-butoxy-2-isobutyl-6-(4-methylthiazol-2-yl)isocarbostyril Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NC(=CS3)C)CC(C)C)CN

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NC(=CS3)C)CC(C)C)CN

InChI

InChI=1S/C22H29N3O2S/c1-5-6-9-27-20-18-10-16(21-24-15(4)13-28-21)7-8-17(18)22(26)25(12-14(2)3)19(20)11-23/h7-8,10,13-14H,5-6,9,11-12,23H2,1-4H3