N-[4-(1-methylimidazol-2-yl)carbonylphenyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-[4-(1-methylimidazol-2-yl)carbonylphenyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[4-[(1-methyl-2-imidazolyl)-oxomethyl]phenyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: 1-keto-N-[4-(1-methylimidazole-2-carbonyl)phenyl]isochroman-3-carboxamide Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(=O)C2=CC=C(C=C2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CN1C=CN=C1C(=O)C2=CC=C(C=C2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H17N3O4/c1-24-11-10-22-19(24)18(25)13-6-8-15(9-7-13)23-20(26)17-12-14-4-2-3-5-16(14)21(27)28-17/h2-11,17H,12H2,1H3,(H,23,26)