2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3H-isoindol-1-one

Systemtic Name: 2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3H-isoindol-1-one Openeye Name: 2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]isoindolin-1-one CAS Name: 2-[2-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]-3H-isoindol-1-one IUPAC Name: 2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-3H-isoindol-1-one Traditional Name: 2-[2-[4-(2,5-dimethylphenyl)piperazino]-2-keto-ethyl]isoindolin-1-one Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CN3CC4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CN3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H25N3O2/c1-16-7-8-17(2)20(13-16)23-9-11-24(12-10-23)21(26)15-25-14-18-5-3-4-6-19(18)22(25)27/h3-8,13H,9-12,14-15H2,1-2H3