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

Systemtic Name: 1-[[2-(cyclopropylamino)-2-oxidanylidene-ethyl]amino]isoquinoline-3-carboxylic acid Openeye Name: 1-[[2-(cyclopropylamino)-2-oxo-ethyl]amino]isoquinoline-3-carboxylic acid CAS Name: 1-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-isoquinolinecarboxylic acid IUPAC Name: 1-[[2-(cyclopropylamino)-2-oxoethyl]amino]isoquinoline-3-carboxylic acid Traditional Name: 1-[[2-(cyclopropylamino)-2-keto-ethyl]amino]isoquinoline-3-carboxylic acid Formula: C15H15N3O3 MolecularWeight: 285.2979

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CNC2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CC1NC(=O)CNC2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C15H15N3O3/c19-13(17-10-5-6-10)8-16-14-11-4-2-1-3-9(11)7-12(18-14)15(20)21/h1-4,7,10H,5-6,8H2,(H,16,18)(H,17,19)(H,20,21)