2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[3-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[3-[4-(2-methoxyphenyl)piperazino]butyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C(=O)C2CC=CCC2C1=O)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CC(CCN1C(=O)C2CC=CCC2C1=O)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C23H31N3O3/c1-17(11-12-26-22(27)18-7-3-4-8-19(18)23(26)28)24-13-15-25(16-14-24)20-9-5-6-10-21(20)29-2/h3-6,9-10,17-19H,7-8,11-16H2,1-2H3