4-[[4-(isoquinolin-3-ylcarbonylamino)-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-[[4-(isoquinolin-3-ylcarbonylamino)-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-[[4-(isoquinoline-3-carbonylamino)-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-[[[4-[[3-isoquinolinyl(oxo)methyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-[[4-(isoquinoline-3-carbonylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-[[4-(isoquinoline-3-carbonylamino)-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carboxylic acid Formula: C22H19N5O4 MolecularWeight: 417.41736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)O)C)NC(=O)C3=CC4=CC=CC=C4C=N3

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)O)C)NC(=O)C3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C22H19N5O4/c1-26-11-15(24-20(28)17-7-13-5-3-4-6-14(13)10-23-17)8-18(26)21(29)25-16-9-19(22(30)31)27(2)12-16/h3-12H,1-2H3,(H,24,28)(H,25,29)(H,30,31)