(1E)-1-[(2-methylpropylamino)-oxidanyl-methylidene]-2-propyl-isoquinoline-3,4-dione

Systemtic Name: (1E)-1-[(2-methylpropylamino)-oxidanyl-methylidene]-2-propyl-isoquinoline-3,4-dione Openeye Name: (1E)-1-[hydroxy-(isobutylamino)methylene]-2-propyl-isoquinoline-3,4-dione CAS Name: (1E)-1-[hydroxy-(2-methylpropylamino)methylidene]-2-propylisoquinoline-3,4-dione IUPAC Name: (1E)-1-[hydroxy-(2-methylpropylamino)methylidene]-2-propylisoquinoline-3,4-dione Traditional Name: (1E)-1-[hydroxy-(isobutylamino)methylene]-2-propyl-isoquinoline-3,4-quinone Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(NCC(C)C)O)C2=CC=CC=C2C(=O)C1=O

Isomeric SMILES

CCCN1/C(=C(\NCC(C)C)/O)/C2=CC=CC=C2C(=O)C1=O

InChI

InChI=1S/C17H22N2O3/c1-4-9-19-14(16(21)18-10-11(2)3)12-7-5-6-8-13(12)15(20)17(19)22/h5-8,11,18,21H,4,9-10H2,1-3H3/b16-14+