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

Systemtic Name: (3S)-3-phenyl-6-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one Openeye Name: (3S)-6-(4-benzylpiperazine-1-carbonyl)-3-phenyl-isochroman-1-one CAS Name: (3S)-6-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3-phenyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3S)-6-(4-benzylpiperazine-1-carbonyl)-3-phenyl-3,4-dihydroisochromen-1-one Traditional Name: (3S)-6-(4-benzylpiperazine-1-carbonyl)-3-phenyl-isochroman-1-one Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)OC(C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)O[C@@H](C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N2O3/c30-26(29-15-13-28(14-16-29)19-20-7-3-1-4-8-20)22-11-12-24-23(17-22)18-25(32-27(24)31)21-9-5-2-6-10-21/h1-12,17,25H,13-16,18-19H2/t25-/m0/s1