2-cyclohexyl-N-(2-morpholin-4-yl-1-phenyl-ethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-cyclohexyl-N-(2-morpholin-4-yl-1-phenyl-ethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-cyclohexyl-N-(2-morpholino-1-phenyl-ethyl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-cyclohexyl-N-[2-(4-morpholinyl)-1-phenylethyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-cyclohexyl-N-(2-morpholin-4-yl-1-phenylethyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-cyclohexyl-1,3-diketo-N-(2-morpholino-1-phenyl-ethyl)isoindoline-5-carboxamide Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC(CN4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC(CN4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H31N3O4/c31-25(28-24(19-7-3-1-4-8-19)18-29-13-15-34-16-14-29)20-11-12-22-23(17-20)27(33)30(26(22)32)21-9-5-2-6-10-21/h1,3-4,7-8,11-12,17,21,24H,2,5-6,9-10,13-16,18H2,(H,28,31)