(3R)-3-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-3,4-dihydroisochromen-1-one

Systemtic Name: (3R)-3-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-3,4-dihydroisochromen-1-one Openeye Name: (3R)-3-phenyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)isochroman-1-one CAS Name: (3R)-6-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3-phenyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3R)-3-phenyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydroisochromen-1-one Traditional Name: (3R)-3-phenyl-6-[4-(2-pyrimidyl)piperazine-1-carbonyl]isochroman-1-one Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC4=C(C=C3)C(=O)OC(C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC4=C(C=C3)C(=O)O[C@H](C4)C5=CC=CC=C5

InChI

InChI=1S/C24H22N4O3/c29-22(27-11-13-28(14-12-27)24-25-9-4-10-26-24)18-7-8-20-19(15-18)16-21(31-23(20)30)17-5-2-1-3-6-17/h1-10,15,21H,11-14,16H2/t21-/m1/s1