3-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one

Systemtic Name: 3-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one Openeye Name: 3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]isochroman-1-one CAS Name: 3-[[4-[(3-fluorophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-3,4-dihydroisochromen-1-one Traditional Name: 3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]isochroman-1-one Formula: C21H19FN2O4 MolecularWeight: 382.384963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2CC3=CC=CC=C3C(=O)O2)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CN(CCN1C(=O)C2CC3=CC=CC=C3C(=O)O2)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C21H19FN2O4/c22-16-6-3-5-15(12-16)19(25)23-8-10-24(11-9-23)20(26)18-13-14-4-1-2-7-17(14)21(27)28-18/h1-7,12,18H,8-11,13H2