N-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]ethanamide

Systemtic Name: N-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]ethanamide Openeye Name: N-[3-(aminomethyl)-4-butoxy-2-isobutyl-1-oxo-6-isoquinolyl]acetamide CAS Name: N-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxo-6-isoquinolinyl]acetamide IUPAC Name: N-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxoisoquinolin-6-yl]acetamide Traditional Name: N-[3-(aminomethyl)-4-butoxy-2-isobutyl-1-keto-6-isoquinolyl]acetamide Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3/c1-5-6-9-26-19-17-10-15(22-14(4)24)7-8-16(17)20(25)23(12-13(2)3)18(19)11-21/h7-8,10,13H,5-6,9,11-12,21H2,1-4H3,(H,22,24)