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

Systemtic Name: 3-[[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]amino]-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one Openeye Name: 3-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)anilino]-2-[(4-fluorophenyl)methyl]isoindolin-1-one CAS Name: 3-[3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]anilino]-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one IUPAC Name: 3-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)anilino]-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one Traditional Name: 3-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)anilino]-2-(4-fluorobenzyl)isoindolin-1-one Formula: C31H26FN3O2 MolecularWeight: 491.555443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)NC4C5=CC=CC=C5C(=O)N4CC6=CC=C(C=C6)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=CC=C3)NC4C5=CC=CC=C5C(=O)N4CC6=CC=C(C=C6)F

InChI

InChI=1S/C31H26FN3O2/c32-25-14-12-21(13-15-25)19-35-29(27-10-3-4-11-28(27)31(35)37)33-26-9-5-8-23(18-26)30(36)34-17-16-22-6-1-2-7-24(22)20-34/h1-15,18,29,33H,16-17,19-20H2