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

Systemtic Name: 3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-6-(1,2,3-triazol-1-yl)isoquinolin-1-one Openeye Name: 3-(aminomethyl)-4-butoxy-2-isobutyl-6-(triazol-1-yl)isoquinolin-1-one CAS Name: 3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-6-(1-triazolyl)-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-6-(triazol-1-yl)isoquinolin-1-one Traditional Name: 3-(aminomethyl)-4-butoxy-2-isobutyl-6-(triazol-1-yl)isocarbostyril Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)N3C=CN=N3)CC(C)C)CN

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)N3C=CN=N3)CC(C)C)CN

InChI

InChI=1S/C20H27N5O2/c1-4-5-10-27-19-17-11-15(25-9-8-22-23-25)6-7-16(17)20(26)24(13-14(2)3)18(19)12-21/h6-9,11,14H,4-5,10,12-13,21H2,1-3H3