N-[2-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-ethyl]amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-ethyl]amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[[2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]amino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[[2-(3,4-dimethoxyphenyl)-2-(4-morpholinyl)ethyl]amino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-[[2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]amino]-2-keto-ethyl]adamantane-1-carboxamide Formula: C27H39N3O5 MolecularWeight: 485.61566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CNC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)N5CCOCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CNC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)N5CCOCC5)OC

InChI

InChI=1S/C27H39N3O5/c1-33-23-4-3-21(12-24(23)34-2)22(30-5-7-35-8-6-30)16-28-25(31)17-29-26(32)27-13-18-9-19(14-27)11-20(10-18)15-27/h3-4,12,18-20,22H,5-11,13-17H2,1-2H3,(H,28,31)(H,29,32)