N-(5-chloranyl-2-pyrrolidin-1-ylcarbonyl-phenyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-(5-chloranyl-2-pyrrolidin-1-ylcarbonyl-phenyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[5-chloro-2-[oxo(1-pyrrolidinyl)methyl]phenyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-1-keto-isochroman-3-carboxamide Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=C(C=C(C=C2)Cl)NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1CCN(C1)C(=O)C2=C(C=C(C=C2)Cl)NC(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H19ClN2O4/c22-14-7-8-16(20(26)24-9-3-4-10-24)17(12-14)23-19(25)18-11-13-5-1-2-6-15(13)21(27)28-18/h1-2,5-8,12,18H,3-4,9-11H2,(H,23,25)