3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]propanamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]propanamide Openeye Name: N-[(4S)-chroman-4-yl]-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide Traditional Name: N-[(4S)-chroman-4-yl]-3-(1,3-diketo-4H-isoquinolin-2-yl)propionamide Formula: C21H20N2O4 MolecularWeight: 364.3945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)CCN3C(=O)CC4=CC=CC=C4C3=O

Isomeric SMILES

C1COC2=CC=CC=C2[C@H]1NC(=O)CCN3C(=O)CC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H20N2O4/c24-19(22-17-10-12-27-18-8-4-3-7-16(17)18)9-11-23-20(25)13-14-5-1-2-6-15(14)21(23)26/h1-8,17H,9-13H2,(H,22,24)/t17-/m0/s1