N-[3,5-bis(trifluoromethyl)phenyl]-4-ethanoyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-ethanoyl-1,4-diazepane-1-carboxamide Openeye Name: 4-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide CAS Name: 4-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Formula: C16H17F6N3O2 MolecularWeight: 397.315499

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H17F6N3O2/c1-10(26)24-3-2-4-25(6-5-24)14(27)23-13-8-11(15(17,18)19)7-12(9-13)16(20,21)22/h7-9H,2-6H2,1H3,(H,23,27)