N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-(homoveratrylamino)-4-keto-butyl]adamantane-1-carboxamide Formula: C25H36N2O4 MolecularWeight: 428.56434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O4/c1-30-21-6-5-17(13-22(21)31-2)7-9-26-23(28)4-3-8-27-24(29)25-14-18-10-19(15-25)12-20(11-18)16-25/h5-6,13,18-20H,3-4,7-12,14-16H2,1-2H3,(H,26,28)(H,27,29)