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

Systemtic Name: 3-phenyl-6-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one Openeye Name: 6-(4-benzoylpiperazine-1-carbonyl)-3-phenyl-isochroman-1-one CAS Name: 6-[(4-benzoyl-1-piperazinyl)-oxomethyl]-3-phenyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 6-(4-benzoylpiperazine-1-carbonyl)-3-phenyl-3,4-dihydroisochromen-1-one Traditional Name: 6-(4-benzoylpiperazine-1-carbonyl)-3-phenyl-isochroman-1-one Formula: C27H24N2O4 MolecularWeight: 440.49046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)OC(C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)OC(C4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N2O4/c30-25(20-9-5-2-6-10-20)28-13-15-29(16-14-28)26(31)21-11-12-23-22(17-21)18-24(33-27(23)32)19-7-3-1-4-8-19/h1-12,17,24H,13-16,18H2