[2-(3-oxidanylidene-5-piperazin-1-yl-1H-isoindol-2-yl)cyclohexyl] ethanoate

Systemtic Name: [2-(3-oxidanylidene-5-piperazin-1-yl-1H-isoindol-2-yl)cyclohexyl] ethanoate Openeye Name: [2-(1-oxo-6-piperazin-1-yl-isoindolin-2-yl)cyclohexyl] acetate CAS Name: acetic acid [2-[3-oxo-5-(1-piperazinyl)-1H-isoindol-2-yl]cyclohexyl] ester IUPAC Name: [2-(3-oxo-5-piperazin-1-yl-1H-isoindol-2-yl)cyclohexyl] acetate Traditional Name: acetic acid [2-(1-keto-6-piperazino-isoindolin-2-yl)cyclohexyl] ester Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCCC1N2CC3=C(C2=O)C=C(C=C3)N4CCNCC4

Isomeric SMILES

CC(=O)OC1CCCCC1N2CC3=C(C2=O)C=C(C=C3)N4CCNCC4

InChI

InChI=1S/C20H27N3O3/c1-14(24)26-19-5-3-2-4-18(19)23-13-15-6-7-16(12-17(15)20(23)25)22-10-8-21-9-11-22/h6-7,12,18-19,21H,2-5,8-11,13H2,1H3