N-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-3,6-dimethyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: N-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-3,6-dimethyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,6-dimethyl-1-oxo-isochromane-3-carboxamide CAS Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,6-dimethyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,6-dimethyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-keto-3,6-dimethyl-isochroman-3-carboxamide Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)OC(C2)(C)C(=O)NCCC3=CNC4=C3C=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)OC(C2)(C)C(=O)NCCC3=CNC4=C3C=C(C=C4)Cl

InChI

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