N-tert-butyl-2-[4-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-keto-2-(4-phenoxyanilino)ethyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C25H35N4O3+ MolecularWeight: 439.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H34N4O3/c1-25(2,3)27-24(31)19-29-15-7-14-28(16-17-29)18-23(30)26-20-10-12-22(13-11-20)32-21-8-5-4-6-9-21/h4-6,8-13H,7,14-19H2,1-3H3,(H,26,30)(H,27,31)/p+1