5-(isoquinolin-3-ylcarbonylamino)-1H-indole-2-carboxylic acid

Systemtic Name: 5-(isoquinolin-3-ylcarbonylamino)-1H-indole-2-carboxylic acid Openeye Name: 5-(isoquinoline-3-carbonylamino)-1H-indole-2-carboxylic acid CAS Name: 5-[[3-isoquinolinyl(oxo)methyl]amino]-1H-indole-2-carboxylic acid IUPAC Name: 5-(isoquinoline-3-carbonylamino)-1H-indole-2-carboxylic acid Traditional Name: 5-(isoquinoline-3-carbonylamino)-1H-indole-2-carboxylic acid Formula: C19H13N3O3 MolecularWeight: 331.32482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)C(=O)NC3=CC4=C(C=C3)NC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)C(=O)NC3=CC4=C(C=C3)NC(=C4)C(=O)O

InChI

InChI=1S/C19H13N3O3/c23-18(16-8-11-3-1-2-4-12(11)10-20-16)21-14-5-6-15-13(7-14)9-17(22-15)19(24)25/h1-10,22H,(H,21,23)(H,24,25)