1-[2-cyanoethyl(methyl)amino]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[2-cyanoethyl(methyl)amino]isoquinoline-3-carboxylic acid Openeye Name: 1-[2-cyanoethyl(methyl)amino]isoquinoline-3-carboxylic acid CAS Name: 1-[2-cyanoethyl(methyl)amino]-3-isoquinolinecarboxylic acid IUPAC Name: 1-[2-cyanoethyl(methyl)amino]isoquinoline-3-carboxylic acid Traditional Name: 1-[2-cyanoethyl(methyl)amino]isoquinoline-3-carboxylic acid Formula: C14H13N3O2 MolecularWeight: 255.27192

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CN(CCC#N)C1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C14H13N3O2/c1-17(8-4-7-15)13-11-6-3-2-5-10(11)9-12(16-13)14(18)19/h2-3,5-6,9H,4,8H2,1H3,(H,18,19)