4-[[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]methyl]-1,4-benzoxazin-3-one

Systemtic Name: 4-[[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]methyl]-1,4-benzoxazin-3-one Openeye Name: 4-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-1,4-benzoxazin-3-one CAS Name: 4-[[3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]methyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]-1,4-benzoxazin-3-one Traditional Name: 4-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzyl]-1,4-benzoxazin-3-one Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)CN4C(=O)COC5=CC=CC=C54

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)CN4C(=O)COC5=CC=CC=C54

InChI

InChI=1S/C25H22N2O3/c28-24-17-30-23-11-4-3-10-22(23)27(24)15-18-6-5-9-20(14-18)25(29)26-13-12-19-7-1-2-8-21(19)16-26/h1-11,14H,12-13,15-17H2