2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[[4-(3-pyridylmethyl)piperazin-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[[4-(3-pyridinylmethyl)-1-piperazinyl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[[4-(3-pyridylmethyl)piperazino]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C19H24N4O2 MolecularWeight: 340.41946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)CN3C(=O)C4CC=CCC4C3=O

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)CN3C(=O)C4CC=CCC4C3=O

InChI

InChI=1S/C19H24N4O2/c24-18-16-5-1-2-6-17(16)19(25)23(18)14-22-10-8-21(9-11-22)13-15-4-3-7-20-12-15/h1-4,7,12,16-17H,5-6,8-11,13-14H2