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

Systemtic Name: N-tert-butyl-2-[4-(4-chloranyl-2-fluoranyl-phenyl)carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(4-chloro-2-fluoro-benzoyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(4-chloro-2-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(4-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(4-chloro-2-fluoro-benzoyl)-1,4-diazepan-1-yl]acetamide Formula: C18H25ClFN3O2 MolecularWeight: 369.861403

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClFN3O2/c1-18(2,3)21-16(24)12-22-7-4-8-23(10-9-22)17(25)14-6-5-13(19)11-15(14)20/h5-6,11H,4,7-10,12H2,1-3H3,(H,21,24)