3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one

Systemtic Name: 3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one Openeye Name: 3-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]isochroman-1-one CAS Name: 3-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydroisochromen-1-one Traditional Name: 3-[4-(2,5-dimethoxybenzyl)piperazine-1-carbonyl]isochroman-1-one Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C23H26N2O5/c1-28-18-7-8-20(29-2)17(13-18)15-24-9-11-25(12-10-24)22(26)21-14-16-5-3-4-6-19(16)23(27)30-21/h3-8,13,21H,9-12,14-15H2,1-2H3