4-[2-(1-adamantylamino)-2-oxidanylidene-ethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide

Systemtic Name: 4-[2-(1-adamantylamino)-2-oxidanylidene-ethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide Openeye Name: 4-[2-(1-adamantylamino)-2-oxo-ethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide CAS Name: 4-[2-(1-adamantylamino)-2-oxoethoxy]-N-(2,5-dimethyl-1-pyrrolyl)benzamide IUPAC Name: 4-[2-(1-adamantylamino)-2-oxoethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide Traditional Name: 4-[2-(1-adamantylamino)-2-keto-ethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1NC(=O)C2=CC=C(C=C2)OCC(=O)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC=C(N1NC(=O)C2=CC=C(C=C2)OCC(=O)NC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C25H31N3O3/c1-16-3-4-17(2)28(16)27-24(30)21-5-7-22(8-6-21)31-15-23(29)26-25-12-18-9-19(13-25)11-20(10-18)14-25/h3-8,18-20H,9-15H2,1-2H3,(H,26,29)(H,27,30)