azepan-1-yl-[2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone

Systemtic Name: azepan-1-yl-[2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone Openeye Name: azepan-1-yl-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone CAS Name: 1-azepanyl-[2-[2-furanyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanone IUPAC Name: azepan-1-yl-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone Traditional Name: azepan-1-yl-[2-(2-furoyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone Formula: C21H24N2O3 MolecularWeight: 352.42686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4

InChI

InChI=1S/C21H24N2O3/c24-20(22-11-5-1-2-6-12-22)18-14-16-8-3-4-9-17(16)15-23(18)21(25)19-10-7-13-26-19/h3-4,7-10,13,18H,1-2,5-6,11-12,14-15H2