N-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-3,3-dimethyl-1-oxidanylidene-4H-isochromene-4-carboxamide

Systemtic Name: N-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-3,3-dimethyl-1-oxidanylidene-4H-isochromene-4-carboxamide Openeye Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,3-dimethyl-1-oxo-isochromane-4-carboxamide CAS Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,3-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-4-carboxamide IUPAC Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,3-dimethyl-1-oxo-4H-isochromene-4-carboxamide Traditional Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-keto-3,3-dimethyl-isochroman-4-carboxamide Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C2=CC=CC=C2C(=O)O1)C(=O)NCCC3=CNC4=C3C=C(C=C4)Cl)C

Isomeric SMILES

CC1(C(C2=CC=CC=C2C(=O)O1)C(=O)NCCC3=CNC4=C3C=C(C=C4)Cl)C

InChI

InChI=1S/C22H21ClN2O3/c1-22(2)19(15-5-3-4-6-16(15)21(27)28-22)20(26)24-10-9-13-12-25-18-8-7-14(23)11-17(13)18/h3-8,11-12,19,25H,9-10H2,1-2H3,(H,24,26)