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

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide CAS Name: 4-[2-(1-azepanyl)-2-oxoethoxy]-N-(2,5-dimethyl-1-pyrrolyl)benzamide IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1NC(=O)C2=CC=C(C=C2)OCC(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC=C(N1NC(=O)C2=CC=C(C=C2)OCC(=O)N3CCCCCC3)C

InChI

InChI=1S/C21H27N3O3/c1-16-7-8-17(2)24(16)22-21(26)18-9-11-19(12-10-18)27-15-20(25)23-13-5-3-4-6-14-23/h7-12H,3-6,13-15H2,1-2H3,(H,22,26)