ethyl 4-[4-(4-cyclohexylpiperazin-1-yl)carbonyl-3-oxidanylidene-1H-isoindol-2-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-(4-cyclohexylpiperazin-1-yl)carbonyl-3-oxidanylidene-1H-isoindol-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[7-(4-cyclohexylpiperazine-1-carbonyl)-1-oxo-isoindolin-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-3-oxo-1H-isoindol-2-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-cyclohexylpiperazine-1-carbonyl)-3-oxo-1H-isoindol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[7-(4-cyclohexylpiperazine-1-carbonyl)-1-keto-isoindolin-2-yl]piperidine-1-carboxylic acid ethyl ester Formula: C27H38N4O4 MolecularWeight: 482.61502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CC3=CC=CC(=C3C2=O)C(=O)N4CCN(CC4)C5CCCCC5

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CC3=CC=CC(=C3C2=O)C(=O)N4CCN(CC4)C5CCCCC5

InChI

InChI=1S/C27H38N4O4/c1-2-35-27(34)30-13-11-22(12-14-30)31-19-20-7-6-10-23(24(20)26(31)33)25(32)29-17-15-28(16-18-29)21-8-4-3-5-9-21/h6-7,10,21-22H,2-5,8-9,11-19H2,1H3