1-(4-ethylpiperazin-1-yl)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(4-ethylpiperazin-1-yl)isoquinoline-3-carboxylic acid Openeye Name: 1-(4-ethylpiperazin-1-yl)isoquinoline-3-carboxylic acid CAS Name: 1-(4-ethyl-1-piperazinyl)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(4-ethylpiperazin-1-yl)isoquinoline-3-carboxylic acid Traditional Name: 1-(4-ethylpiperazino)isoquinoline-3-carboxylic acid Formula: C16H19N3O2 MolecularWeight: 285.34096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H19N3O2/c1-2-18-7-9-19(10-8-18)15-13-6-4-3-5-12(13)11-14(17-15)16(20)21/h3-6,11H,2,7-10H2,1H3,(H,20,21)