1-(3-oxidanylidenepiperazin-1-yl)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(3-oxidanylidenepiperazin-1-yl)isoquinoline-3-carboxylic acid Openeye Name: 1-(3-oxopiperazin-1-yl)isoquinoline-3-carboxylic acid CAS Name: 1-(3-oxo-1-piperazinyl)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(3-oxopiperazin-1-yl)isoquinoline-3-carboxylic acid Traditional Name: 1-(3-ketopiperazino)isoquinoline-3-carboxylic acid Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C14H13N3O3/c18-12-8-17(6-5-15-12)13-10-4-2-1-3-9(10)7-11(16-13)14(19)20/h1-4,7H,5-6,8H2,(H,15,18)(H,19,20)