2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-thiophen-2-yl-isoquinolin-6-yl]oxyethanamide

Systemtic Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-thiophen-2-yl-isoquinolin-6-yl]oxyethanamide Openeye Name: 2-[[3-(aminomethyl)-2-isobutyl-1-oxo-4-(2-thienyl)-6-isoquinolyl]oxy]acetamide CAS Name: 2-[[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-thiophen-2-yl-6-isoquinolinyl]oxy]acetamide IUPAC Name: 2-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-thiophen-2-ylisoquinolin-6-yl]oxyacetamide Traditional Name: 2-[[3-(aminomethyl)-2-isobutyl-1-keto-4-(2-thienyl)-6-isoquinolyl]oxy]acetamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC(=O)N)C3=CC=CS3)CN

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC(=O)N)C3=CC=CS3)CN

InChI

InChI=1S/C20H23N3O3S/c1-12(2)10-23-16(9-21)19(17-4-3-7-27-17)15-8-13(26-11-18(22)24)5-6-14(15)20(23)25/h3-8,12H,9-11,21H2,1-2H3,(H2,22,24)