4-[5-[[(phenylmethyl)amino]methyl]furan-2-yl]-5,6,7,8-tetrahydro-2H-isoquinolin-1-one

Systemtic Name: 4-[5-[[(phenylmethyl)amino]methyl]furan-2-yl]-5,6,7,8-tetrahydro-2H-isoquinolin-1-one Openeye Name: 4-[5-[(benzylamino)methyl]-2-furyl]-5,6,7,8-tetrahydro-2H-isoquinolin-1-one CAS Name: 4-[5-[[(phenylmethyl)amino]methyl]-2-furanyl]-5,6,7,8-tetrahydro-2H-isoquinolin-1-one IUPAC Name: 4-[5-[(benzylamino)methyl]furan-2-yl]-5,6,7,8-tetrahydro-2H-isoquinolin-1-one Traditional Name: 4-[5-[(benzylamino)methyl]-2-furyl]-5,6,7,8-tetrahydro-2H-isoquinolin-1-one Formula: C21H22N2O2 MolecularWeight: 334.41158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CNC2=O)C3=CC=C(O3)CNCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=CNC2=O)C3=CC=C(O3)CNCC4=CC=CC=C4

InChI

InChI=1S/C21H22N2O2/c24-21-18-9-5-4-8-17(18)19(14-23-21)20-11-10-16(25-20)13-22-12-15-6-2-1-3-7-15/h1-3,6-7,10-11,14,22H,4-5,8-9,12-13H2,(H,23,24)