N-[2-(2,1,3-benzoxadiazol-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-methoxy-propanamide

Systemtic Name: N-[2-(2,1,3-benzoxadiazol-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-methoxy-propanamide Openeye Name: N-[2-(2,1,3-benzoxadiazol-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-methoxy-propanamide CAS Name: N-[2-(2,1,3-benzoxadiazol-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-methoxypropanamide IUPAC Name: N-[2-(2,1,3-benzoxadiazol-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-methoxypropanamide Traditional Name: N-[2-(benzofurazan-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-methoxy-propionamide Formula: C20H22N4O3 MolecularWeight: 366.41368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCC(=O)NC1=CC2=C(CCN(C2)CC3=CC=CC4=NON=C43)C=C1

Isomeric SMILES

COCCC(=O)NC1=CC2=C(CCN(C2)CC3=CC=CC4=NON=C43)C=C1

InChI

InChI=1S/C20H22N4O3/c1-26-10-8-19(25)21-17-6-5-14-7-9-24(13-16(14)11-17)12-15-3-2-4-18-20(15)23-27-22-18/h2-6,11H,7-10,12-13H2,1H3,(H,21,25)