3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]carbonylphenyl]methyl]isochromen-1-one

Systemtic Name: 3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]carbonylphenyl]methyl]isochromen-1-one Openeye Name: 3-[[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]isochromen-1-one CAS Name: 3-[[2-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-2-benzopyran-1-one IUPAC Name: 3-[[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]isochromen-1-one Traditional Name: 3-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzyl]isocoumarin Formula: C27H23FN2O3 MolecularWeight: 442.481523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3CC4=CC5=CC=CC=C5C(=O)O4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3CC4=CC5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C27H23FN2O3/c28-21-9-11-22(12-10-21)29-13-15-30(16-14-29)26(31)24-7-3-1-5-19(24)17-23-18-20-6-2-4-8-25(20)27(32)33-23/h1-12,18H,13-17H2