2-[(4-isoquinolin-3-ylpiperazin-1-yl)carbonylamino]benzoic acid

Systemtic Name: 2-[(4-isoquinolin-3-ylpiperazin-1-yl)carbonylamino]benzoic acid Openeye Name: 2-[[4-(3-isoquinolyl)piperazine-1-carbonyl]amino]benzoic acid CAS Name: 2-[[[4-(3-isoquinolinyl)-1-piperazinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[(4-isoquinolin-3-ylpiperazine-1-carbonyl)amino]benzoic acid Traditional Name: 2-[[4-(3-isoquinolyl)piperazine-1-carbonyl]amino]benzoic acid Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC3=CC=CC=C3C=N2)C(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC3=CC=CC=C3C=N2)C(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C21H20N4O3/c26-20(27)17-7-3-4-8-18(17)23-21(28)25-11-9-24(10-12-25)19-13-15-5-1-2-6-16(15)14-22-19/h1-8,13-14H,9-12H2,(H,23,28)(H,26,27)