7a-[2-oxidanyl-3-(4-phenylpiperazin-1-yl)propyl]-3aH-isoindole-1,3-dione hydrochloride

Systemtic Name: 7a-[2-oxidanyl-3-(4-phenylpiperazin-1-yl)propyl]-3aH-isoindole-1,3-dione hydrochloride Openeye Name: 7a-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3aH-isoindole-1,3-dione hydrochloride CAS Name: 7a-[2-hydroxy-3-(4-phenyl-1-piperazinyl)propyl]-3aH-isoindole-1,3-dione hydrochloride IUPAC Name: 7a-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-3aH-isoindole-1,3-dione hydrochloride Traditional Name: 7a-[2-hydroxy-3-(4-phenylpiperazino)propyl]-3aH-isoindole-1,3-quinone hydrochloride Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CC23C=CC=CC2C(=O)NC3=O)O)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CN(CCN1CC(CC23C=CC=CC2C(=O)NC3=O)O)C4=CC=CC=C4.Cl

InChI

InChI=1S/C21H25N3O3.ClH/c25-17(14-21-9-5-4-8-18(21)19(26)22-20(21)27)15-23-10-12-24(13-11-23)16-6-2-1-3-7-16;/h1-9,17-18,25H,10-15H2,(H,22,26,27);1H