4-[[5-[[6-chloranyl-2-oxidanylidene-1-[[3-(trifluoromethyloxy)phenyl]methyl]spiro[3,1-benzoxazine-4,4'-piperidine]-1'-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[6-chloranyl-2-oxidanylidene-1-[[3-(trifluoromethyloxy)phenyl]methyl]spiro[3,1-benzoxazine-4,4'-piperidine]-1'-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[6-chloro-2-oxo-1-[[3-(trifluoromethoxy)phenyl]methyl]spiro[3,1-benzoxazine-4,4'-piperidine]-1'-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[6-chloro-2-oxo-1-[[3-(trifluoromethoxy)phenyl]methyl]-1'-spiro[3,1-benzoxazine-4,4'-piperidine]yl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[6-chloro-2-oxo-1-[[3-(trifluoromethoxy)phenyl]methyl]spiro[3,1-benzoxazine-4,4'-piperidine]-1'-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[6-chloro-2-keto-1-[3-(trifluoromethoxy)benzyl]spiro[3,1-benzoxazine-4,4'-piperidine]-1'-yl]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C32H27ClF3N5O3 MolecularWeight: 622.03669

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12C3=C(C=CC(=C3)Cl)N(C(=O)O2)CC4=CC(=CC=C4)OC(F)(F)F)CC5=CN=CN5CC6=CC=C(C=C6)C#N

Isomeric SMILES

C1CN(CCC12C3=C(C=CC(=C3)Cl)N(C(=O)O2)CC4=CC(=CC=C4)OC(F)(F)F)CC5=CN=CN5CC6=CC=C(C=C6)C#N

InChI

InChI=1S/C32H27ClF3N5O3/c33-25-8-9-29-28(15-25)31(44-30(42)41(29)19-24-2-1-3-27(14-24)43-32(34,35)36)10-12-39(13-11-31)20-26-17-38-21-40(26)18-23-6-4-22(16-37)5-7-23/h1-9,14-15,17,21H,10-13,18-20H2