2-(3-bromanyl-1-adamantyl)-N-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-ethanamide

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-N-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-ethanamide Openeye Name: 2-(3-bromo-1-adamantyl)-N-[2-(3,4-diethoxyanilino)-2-oxo-ethyl]-N-methyl-acetamide CAS Name: 2-(3-bromo-1-adamantyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylacetamide IUPAC Name: 2-(3-bromo-1-adamantyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylacetamide Traditional Name: 2-(3-bromo-1-adamantyl)-N-[2-(3,4-diethoxyanilino)-2-keto-ethyl]-N-methyl-acetamide Formula: C25H35BrN2O4 MolecularWeight: 507.4604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)CC23CC4CC(C2)CC(C4)(C3)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)CC23CC4CC(C2)CC(C4)(C3)Br)OCC

InChI

InChI=1S/C25H35BrN2O4/c1-4-31-20-7-6-19(9-21(20)32-5-2)27-22(29)15-28(3)23(30)14-24-10-17-8-18(11-24)13-25(26,12-17)16-24/h6-7,9,17-18H,4-5,8,10-16H2,1-3H3,(H,27,29)