2-[(1-isoquinolin-3-yl-2-oxidanylidene-pyridin-4-yl)methylamino]benzoic acid

Systemtic Name: 2-[(1-isoquinolin-3-yl-2-oxidanylidene-pyridin-4-yl)methylamino]benzoic acid Openeye Name: 2-[[1-(3-isoquinolyl)-2-oxo-4-pyridyl]methylamino]benzoic acid CAS Name: 2-[[1-(3-isoquinolinyl)-2-oxo-4-pyridinyl]methylamino]benzoic acid IUPAC Name: 2-[(1-isoquinolin-3-yl-2-oxopyridin-4-yl)methylamino]benzoic acid Traditional Name: 2-[[1-(3-isoquinolyl)-2-keto-4-pyridyl]methylamino]benzoic acid Formula: C22H17N3O3 MolecularWeight: 371.38868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)N3C=CC(=CC3=O)CNC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)N3C=CC(=CC3=O)CNC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H17N3O3/c26-21-11-15(13-23-19-8-4-3-7-18(19)22(27)28)9-10-25(21)20-12-16-5-1-2-6-17(16)14-24-20/h1-12,14,23H,13H2,(H,27,28)