4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-(4-phenoxyphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-(4-phenoxyphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[2-(tert-butylamino)-2-oxo-ethyl]-N-(4-phenoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[2-(tert-butylamino)-2-oxoethyl]-N-(4-phenoxyphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[2-(tert-butylamino)-2-oxoethyl]-N-(4-phenoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[2-(tert-butylamino)-2-keto-ethyl]-N-(4-phenoxyphenyl)-1,4-diazepane-1-carboxamide Formula: C24H32N4O3 MolecularWeight: 424.53588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCCN(CC1)C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCCN(CC1)C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C24H32N4O3/c1-24(2,3)26-22(29)18-27-14-7-15-28(17-16-27)23(30)25-19-10-12-21(13-11-19)31-20-8-5-4-6-9-20/h4-6,8-13H,7,14-18H2,1-3H3,(H,25,30)(H,26,29)