ethyl 4-(2-cyclohexyl-3-oxidanylidene-1H-isoindol-5-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(2-cyclohexyl-3-oxidanylidene-1H-isoindol-5-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(2-cyclohexyl-3-oxo-isoindolin-5-yl)piperazine-1-carboxylate CAS Name: 4-(2-cyclohexyl-3-oxo-1H-isoindol-5-yl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-cyclohexyl-3-oxo-1H-isoindol-5-yl)piperazine-1-carboxylate Traditional Name: 4-(2-cyclohexyl-3-keto-isoindolin-5-yl)piperazine-1-carboxylic acid ethyl ester Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC3=C(CN(C3=O)C4CCCCC4)C=C2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC3=C(CN(C3=O)C4CCCCC4)C=C2

InChI

InChI=1S/C21H29N3O3/c1-2-27-21(26)23-12-10-22(11-13-23)18-9-8-16-15-24(20(25)19(16)14-18)17-6-4-3-5-7-17/h8-9,14,17H,2-7,10-13,15H2,1H3