3-methyl-N-[4-(1-methylimidazol-2-yl)carbonylphenyl]-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: 3-methyl-N-[4-(1-methylimidazol-2-yl)carbonylphenyl]-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: 3-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1-oxo-isochromane-3-carboxamide CAS Name: 3-methyl-N-[4-[(1-methyl-2-imidazolyl)-oxomethyl]phenyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 3-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1-oxo-4H-isochromene-3-carboxamide Traditional Name: 1-keto-3-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]isochroman-3-carboxamide Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC=C(C=C3)C(=O)C4=NC=CN4C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC=C(C=C3)C(=O)C4=NC=CN4C

InChI

InChI=1S/C22H19N3O4/c1-22(13-15-5-3-4-6-17(15)20(27)29-22)21(28)24-16-9-7-14(8-10-16)18(26)19-23-11-12-25(19)2/h3-12H,13H2,1-2H3,(H,24,28)