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

Systemtic Name: N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-ethyl]amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]amino]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-[[2-(3,4-dimethoxyphenyl)-2-(4-morpholinyl)ethyl]amino]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]amino]-3-keto-propyl]adamantane-1-carboxamide Formula: C28H41N3O5 MolecularWeight: 499.64224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41N3O5/c1-34-24-4-3-22(14-25(24)35-2)23(31-7-9-36-10-8-31)18-30-26(32)5-6-29-27(33)28-15-19-11-20(16-28)13-21(12-19)17-28/h3-4,14,19-21,23H,5-13,15-18H2,1-2H3,(H,29,33)(H,30,32)