4-(isoquinolin-3-ylcarbonylamino)-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-(isoquinolin-3-ylcarbonylamino)-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-(isoquinoline-3-carbonylamino)-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-[[3-isoquinolinyl(oxo)methyl]amino]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-(isoquinoline-3-carbonylamino)-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-(isoquinoline-3-carbonylamino)-1-methyl-pyrrole-2-carboxylic acid Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)O)NC(=O)C2=CC3=CC=CC=C3C=N2

Isomeric SMILES

CN1C=C(C=C1C(=O)O)NC(=O)C2=CC3=CC=CC=C3C=N2

InChI

InChI=1S/C16H13N3O3/c1-19-9-12(7-14(19)16(21)22)18-15(20)13-6-10-4-2-3-5-11(10)8-17-13/h2-9H,1H3,(H,18,20)(H,21,22)