(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one

Systemtic Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one Openeye Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]isochroman-1-one CAS Name: (3S)-3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3,4-dihydroisochromen-1-one Traditional Name: (3S)-3-(4-piperonylpiperazine-1-carbonyl)isochroman-1-one Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4CC5=CC=CC=C5C(=O)O4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)[C@@H]4CC5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C22H22N2O5/c25-21(20-12-16-3-1-2-4-17(16)22(26)29-20)24-9-7-23(8-10-24)13-15-5-6-18-19(11-15)28-14-27-18/h1-6,11,20H,7-10,12-14H2/t20-/m0/s1