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

Systemtic Name: N-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-6-methyl-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-6-methyl-1-oxo-isochromane-3-carboxamide CAS Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-6-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-keto-6-methyl-isochroman-3-carboxamide Formula: C21H19ClN2O3 MolecularWeight: 382.84016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O3/c1-12-2-4-16-14(8-12)9-19(27-21(16)26)20(25)23-7-6-13-11-24-18-5-3-15(22)10-17(13)18/h2-5,8,10-11,19,24H,6-7,9H2,1H3,(H,23,25)