1-(pyridin-2-ylmethylamino)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(pyridin-2-ylmethylamino)isoquinoline-3-carboxylic acid Openeye Name: 1-(2-pyridylmethylamino)isoquinoline-3-carboxylic acid CAS Name: 1-(2-pyridinylmethylamino)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(pyridin-2-ylmethylamino)isoquinoline-3-carboxylic acid Traditional Name: 1-(2-pyridylmethylamino)isoquinoline-3-carboxylic acid Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2NCC3=CC=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2NCC3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C16H13N3O2/c20-16(21)14-9-11-5-1-2-7-13(11)15(19-14)18-10-12-6-3-4-8-17-12/h1-9H,10H2,(H,18,19)(H,20,21)