(3S)-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-3,4-dihydroisochromen-1-one

Systemtic Name: (3S)-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-3,4-dihydroisochromen-1-one Openeye Name: (3S)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)isochroman-1-one CAS Name: (3S)-3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3S)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydroisochromen-1-one Traditional Name: (3S)-3-[4-(2-pyrimidyl)piperazine-1-carbonyl]isochroman-1-one Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)[C@@H]3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C18H18N4O3/c23-16(15-12-13-4-1-2-5-14(13)17(24)25-15)21-8-10-22(11-9-21)18-19-6-3-7-20-18/h1-7,15H,8-12H2/t15-/m0/s1