N-tert-butyl-2-[4-(4-chloranyl-2-oxidanyl-phenyl)carbonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(4-chloranyl-2-oxidanyl-phenyl)carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(4-chloro-2-hydroxy-benzoyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(4-chloro-2-hydroxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(4-chloro-2-hydroxybenzoyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(4-chloro-2-hydroxy-benzoyl)-1,4-diazepan-1-yl]acetamide Formula: C18H26ClN3O3 MolecularWeight: 367.87034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)O

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)O

InChI

InChI=1S/C18H26ClN3O3/c1-18(2,3)20-16(24)12-21-7-4-8-22(10-9-21)17(25)14-6-5-13(19)11-15(14)23/h5-6,11,23H,4,7-10,12H2,1-3H3,(H,20,24)