(3S)-6-[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl-3-phenyl-3,4-dihydroisochromen-1-one

Systemtic Name: (3S)-6-[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl-3-phenyl-3,4-dihydroisochromen-1-one Openeye Name: (3S)-6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-3-phenyl-isochroman-1-one CAS Name: (3S)-6-[[4-(3-methoxyphenyl)-1-piperazinyl]-oxomethyl]-3-phenyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3S)-6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-3-phenyl-3,4-dihydroisochromen-1-one Traditional Name: (3S)-6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-3-phenyl-isochroman-1-one Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)OC(C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)O[C@@H](C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N2O4/c1-32-23-9-5-8-22(18-23)28-12-14-29(15-13-28)26(30)20-10-11-24-21(16-20)17-25(33-27(24)31)19-6-3-2-4-7-19/h2-11,16,18,25H,12-15,17H2,1H3/t25-/m0/s1