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

Systemtic Name: (3aS,7aS)-2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,7aS)-2-[(4-benzylpiperazin-1-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,7aS)-2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,7aS)-2-[(4-benzylpiperazin-1-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,7aS)-2-[(4-benzylpiperazino)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O

InChI

InChI=1S/C20H25N3O2/c24-19-17-8-4-5-9-18(17)20(25)23(19)15-22-12-10-21(11-13-22)14-16-6-2-1-3-7-16/h1-7,17-18H,8-15H2/t17-,18-/m0/s1