3-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-4-(4-methylphenyl)isochromen-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H23FN2O3/c1-18-6-8-19(9-7-18)24-22-4-2-3-5-23(22)27(32)33-25(24)26(31)30-16-14-29(15-17-30)21-12-10-20(28)11-13-21/h2-13H,14-17H2,1H3