(2Z)-2-[2-azanyl-1-(4-butoxyisoquinolin-6-yl)ethylidene]-4-methyl-N-oxidanylidene-pentanamide

Systemtic Name: (2Z)-2-[2-azanyl-1-(4-butoxyisoquinolin-6-yl)ethylidene]-4-methyl-N-oxidanylidene-pentanamide Openeye Name: (2Z)-2-[2-amino-1-(4-butoxy-6-isoquinolyl)ethylidene]-4-methyl-N-oxo-pentanamide CAS Name: (2Z)-2-[2-amino-1-(4-butoxy-6-isoquinolinyl)ethylidene]-4-methyl-N-oxopentanamide IUPAC Name: (2Z)-2-[2-amino-1-(4-butoxyisoquinolin-6-yl)ethylidene]-4-methyl-N-oxopentanamide Traditional Name: (Z)-4-amino-3-(4-butoxy-6-isoquinolyl)-2-isobutyl-N-keto-but-2-enamide Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C2C=C(C=CC2=CN=C1)C(=C(CC(C)C)C(=O)N=O)CN

Isomeric SMILES

CCCCOC1=C2C=C(C=CC2=CN=C1)/C(=C(\CC(C)C)/C(=O)N=O)/CN

InChI

InChI=1S/C21H27N3O3/c1-4-5-8-27-20-13-23-12-16-7-6-15(10-17(16)20)19(11-22)18(9-14(2)3)21(25)24-26/h6-7,10,12-14H,4-5,8-9,11,22H2,1-3H3/b19-18+