N-[4-oxidanylidene-4-[(2,4,5-trimethoxyphenyl)methylamino]butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-oxidanylidene-4-[(2,4,5-trimethoxyphenyl)methylamino]butyl]adamantane-1-carboxamide Openeye Name: N-[4-oxo-4-[(2,4,5-trimethoxyphenyl)methylamino]butyl]adamantane-1-carboxamide CAS Name: N-[4-oxo-4-[(2,4,5-trimethoxyphenyl)methylamino]butyl]-1-adamantanecarboxamide IUPAC Name: N-[4-oxo-4-[(2,4,5-trimethoxyphenyl)methylamino]butyl]adamantane-1-carboxamide Traditional Name: N-[4-keto-4-[(2,4,5-trimethoxybenzyl)amino]butyl]adamantane-1-carboxamide Formula: C25H36N2O5 MolecularWeight: 444.56374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3)OC)OC

InChI

InChI=1S/C25H36N2O5/c1-30-20-11-22(32-3)21(31-2)10-19(20)15-27-23(28)5-4-6-26-24(29)25-12-16-7-17(13-25)9-18(8-16)14-25/h10-11,16-18H,4-9,12-15H2,1-3H3,(H,26,29)(H,27,28)