5-chloranyl-6-oxidanyl-2-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione hydrochloride

Systemtic Name: 5-chloranyl-6-oxidanyl-2-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione hydrochloride Openeye Name: 5-chloro-6-hydroxy-2-[3-[4-(2-isopropoxyphenyl)piperazin-1-yl]propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione hydrochloride CAS Name: 5-chloro-6-hydroxy-2-[3-[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione hydrochloride IUPAC Name: 5-chloro-6-hydroxy-2-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione hydrochloride Traditional Name: 5-chloro-6-hydroxy-2-[3-[4-(2-isopropoxyphenyl)piperazino]propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone hydrochloride Formula: C24H35Cl2N3O4 MolecularWeight: 500.4584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1N2CCN(CC2)CCCN3C(=O)C4CC(C(CC4C3=O)Cl)O.Cl

Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CCN(CC2)CCCN3C(=O)C4CC(C(CC4C3=O)Cl)O.Cl

InChI

InChI=1S/C24H34ClN3O4.ClH/c1-16(2)32-22-7-4-3-6-20(22)27-12-10-26(11-13-27)8-5-9-28-23(30)17-14-19(25)21(29)15-18(17)24(28)31;/h3-4,6-7,16-19,21,29H,5,8-15H2,1-2H3;1H