1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-(4-phenylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-(4-phenylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(4-phenylphenyl)methyl]-1,4-diazepane CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(4-phenylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(4-phenylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(4-phenylphenyl)methyl]-1,4-diazepane Formula: C25H24ClF3N2 MolecularWeight: 444.91967

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C25H24ClF3N2/c26-23-12-11-21(17-22(23)25(27,28)29)24(31-15-4-13-30-14-16-31)20-9-7-19(8-10-20)18-5-2-1-3-6-18/h1-3,5-12,17,24,30H,4,13-16H2