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

Systemtic Name: 4-[2-(azocan-1-yl)-2-oxidanylidene-ethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide Openeye Name: 4-[2-(azocan-1-yl)-2-oxo-ethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide CAS Name: 4-[2-(1-azocanyl)-2-oxoethoxy]-N-(2,5-dimethyl-1-pyrrolyl)benzamide IUPAC Name: 4-[2-(azocan-1-yl)-2-oxoethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide Traditional Name: 4-[2-(azocan-1-yl)-2-keto-ethoxy]-N-(2,5-dimethylpyrrol-1-yl)benzamide Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1NC(=O)C2=CC=C(C=C2)OCC(=O)N3CCCCCCC3)C

Isomeric SMILES

CC1=CC=C(N1NC(=O)C2=CC=C(C=C2)OCC(=O)N3CCCCCCC3)C

InChI

InChI=1S/C22H29N3O3/c1-17-8-9-18(2)25(17)23-22(27)19-10-12-20(13-11-19)28-16-21(26)24-14-6-4-3-5-7-15-24/h8-13H,3-7,14-16H2,1-2H3,(H,23,27)