5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole Formula: C18H16N4O3 MolecularWeight: 336.34464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=NC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=NC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O3/c23-22(24)16-7-3-6-14(10-16)18-19-17(25-20-18)12-21-9-8-13-4-1-2-5-15(13)11-21/h1-7,10H,8-9,11-12H2