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

Systemtic Name: 2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]oxyethanamide Openeye Name: 2-[[3-(aminomethyl)-2-isobutyl-1-oxo-4-(p-tolyl)-6-isoquinolyl]oxy]acetamide CAS Name: 2-[[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxo-6-isoquinolinyl]oxy]acetamide IUPAC Name: 2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxoisoquinolin-6-yl]oxyacetamide Traditional Name: 2-[[3-(aminomethyl)-2-isobutyl-1-keto-4-(p-tolyl)-6-isoquinolyl]oxy]acetamide Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)OCC(=O)N)CC(C)C)CN

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)OCC(=O)N)CC(C)C)CN

InChI

InChI=1S/C23H27N3O3/c1-14(2)12-26-20(11-24)22(16-6-4-15(3)5-7-16)19-10-17(29-13-21(25)27)8-9-18(19)23(26)28/h4-10,14H,11-13,24H2,1-3H3,(H2,25,27)