3-[3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-6-yl]propanamide

Systemtic Name: 3-[3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-6-yl]propanamide Openeye Name: 3-[3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-6-isoquinolyl]propanamide CAS Name: 3-[3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-6-isoquinolinyl]propanamide IUPAC Name: 3-[3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxoisoquinolin-6-yl]propanamide Traditional Name: 3-[3-(aminomethyl)-4-butoxy-1-keto-2-neopentyl-6-isoquinolyl]propionamide Formula: C22H33N3O3 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)CCC(=O)N)CC(C)(C)C)CN

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)CCC(=O)N)CC(C)(C)C)CN

InChI

InChI=1S/C22H33N3O3/c1-5-6-11-28-20-17-12-15(8-10-19(24)26)7-9-16(17)21(27)25(18(20)13-23)14-22(2,3)4/h7,9,12H,5-6,8,10-11,13-14,23H2,1-4H3,(H2,24,26)