2-[3-(4-methylpiperazin-1-yl)isoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(4-methylpiperazin-1-yl)isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[3-(4-methylpiperazin-1-yl)-1-isoquinolyl]acetic acid CAS Name: 2-[3-(4-methyl-1-piperazinyl)-1-isoquinolinyl]acetic acid IUPAC Name: 2-[3-(4-methylpiperazin-1-yl)isoquinolin-1-yl]acetic acid Traditional Name: 2-[3-(4-methylpiperazino)-1-isoquinolyl]acetic acid Formula: C16H19N3O2 MolecularWeight: 285.34096

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC3=CC=CC=C3C(=N2)CC(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=CC3=CC=CC=C3C(=N2)CC(=O)O

InChI

InChI=1S/C16H19N3O2/c1-18-6-8-19(9-7-18)15-10-12-4-2-3-5-13(12)14(17-15)11-16(20)21/h2-5,10H,6-9,11H2,1H3,(H,20,21)