[3,5-bis(trifluoromethyl)phenyl]-(7-phenyl-1,4-diazepan-1-yl)methanone

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]-(7-phenyl-1,4-diazepan-1-yl)methanone Openeye Name: [3,5-bis(trifluoromethyl)phenyl]-(7-phenyl-1,4-diazepan-1-yl)methanone CAS Name: [3,5-bis(trifluoromethyl)phenyl]-(7-phenyl-1,4-diazepan-1-yl)methanone IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]-(7-phenyl-1,4-diazepan-1-yl)methanone Traditional Name: [3,5-bis(trifluoromethyl)phenyl]-(7-phenyl-1,4-diazepan-1-yl)methanone Formula: C20H18F6N2O MolecularWeight: 416.360139

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1C2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CNCCN(C1C2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H18F6N2O/c21-19(22,23)15-10-14(11-16(12-15)20(24,25)26)18(29)28-9-8-27-7-6-17(28)13-4-2-1-3-5-13/h1-5,10-12,17,27H,6-9H2