1-[[2-(dimethylamino)-2-oxidanylidene-ethyl]-methyl-amino]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[[2-(dimethylamino)-2-oxidanylidene-ethyl]-methyl-amino]isoquinoline-3-carboxylic acid Openeye Name: 1-[[2-(dimethylamino)-2-oxo-ethyl]-methyl-amino]isoquinoline-3-carboxylic acid CAS Name: 1-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-3-isoquinolinecarboxylic acid IUPAC Name: 1-[[2-(dimethylamino)-2-oxoethyl]-methylamino]isoquinoline-3-carboxylic acid Traditional Name: 1-[[2-(dimethylamino)-2-keto-ethyl]-methyl-amino]isoquinoline-3-carboxylic acid Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN(C)C1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CN(C)C(=O)CN(C)C1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C15H17N3O3/c1-17(2)13(19)9-18(3)14-11-7-5-4-6-10(11)8-12(16-14)15(20)21/h4-8H,9H2,1-3H3,(H,20,21)