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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCNC(=O)CNC1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C15H17N3O3/c1-2-7-16-13(19)9-17-14-11-6-4-3-5-10(11)8-12(18-14)15(20)21/h3-6,8H,2,7,9H2,1H3,(H,16,19)(H,17,18)(H,20,21)