1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-naphthalen-1-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-naphthalen-1-yl-methyl]-1,4-diazepane Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(1-naphthyl)methyl]-1,4-diazepane CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(1-naphthalenyl)methyl]-1,4-diazepane IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-naphthalen-1-ylmethyl]-1,4-diazepane Traditional Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(1-naphthyl)methyl]-1,4-diazepane Formula: C23H22ClF3N2 MolecularWeight: 418.88239

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=CC3=CC=CC=C32)C4=C(C=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=CC3=CC=CC=C32)C4=C(C=CC(=C4)C(F)(F)F)Cl

InChI

InChI=1S/C23H22ClF3N2/c24-21-10-9-17(23(25,26)27)15-20(21)22(29-13-4-11-28-12-14-29)19-8-3-6-16-5-1-2-7-18(16)19/h1-3,5-10,15,22,28H,4,11-14H2