(3S)-3-(4-pyridin-2-ylcarbonylpiperazin-1-yl)carbonyl-3,4-dihydroisochromen-1-one

Systemtic Name: (3S)-3-(4-pyridin-2-ylcarbonylpiperazin-1-yl)carbonyl-3,4-dihydroisochromen-1-one Openeye Name: (3S)-3-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]isochroman-1-one CAS Name: (3S)-3-[oxo-[4-[oxo(2-pyridinyl)methyl]-1-piperazinyl]methyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3S)-3-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]-3,4-dihydroisochromen-1-one Traditional Name: (3S)-3-(4-picolinoylpiperazine-1-carbonyl)isochroman-1-one Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2CC3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1C(=O)[C@@H]2CC3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=N4

InChI

InChI=1S/C20H19N3O4/c24-18(16-7-3-4-8-21-16)22-9-11-23(12-10-22)19(25)17-13-14-5-1-2-6-15(14)20(26)27-17/h1-8,17H,9-13H2/t17-/m0/s1