3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one

Systemtic Name: 3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one Openeye Name: 3-[4-(4-pyridylmethyl)piperazine-1-carbonyl]isochroman-1-one CAS Name: 3-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]-3,4-dihydroisochromen-1-one Traditional Name: 3-[4-(4-pyridylmethyl)piperazine-1-carbonyl]isochroman-1-one Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C20H21N3O3/c24-19(18-13-16-3-1-2-4-17(16)20(25)26-18)23-11-9-22(10-12-23)14-15-5-7-21-8-6-15/h1-8,18H,9-14H2