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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC3=CC=CC=C32)C(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC=CC3=CC=CC=C32)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)25-13-11-24(12-14-25)19-16-6-2-1-5-15(16)9-10-22-19/h1-10H,11-14H2,(H,23,28)(H,26,27)