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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C2=NC=C(C3=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)14(11-17-15)16(20)21/h3-6,11H,2,7-10H2,1H3,(H,20,21)