4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-(3-chloranyl-2,6-diethyl-phenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-(3-chloranyl-2,6-diethyl-phenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[2-(tert-butylamino)-2-oxo-ethyl]-N-(3-chloro-2,6-diethyl-phenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chloro-2,6-diethylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chloro-2,6-diethylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[2-(tert-butylamino)-2-keto-ethyl]-N-(3-chloro-2,6-diethyl-phenyl)-1,4-diazepane-1-carboxamide Formula: C22H35ClN4O2 MolecularWeight: 422.9919

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)N2CCCN(CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)N2CCCN(CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C22H35ClN4O2/c1-6-16-9-10-18(23)17(7-2)20(16)24-21(29)27-12-8-11-26(13-14-27)15-19(28)25-22(3,4)5/h9-10H,6-8,11-15H2,1-5H3,(H,24,29)(H,25,28)