[2-(4-fluoranyl-2-methyl-phenyl)-1,4-diazepan-1-yl] N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-carbamate

Systemtic Name: [2-(4-fluoranyl-2-methyl-phenyl)-1,4-diazepan-1-yl] N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-carbamate Openeye Name: [2-(4-fluoro-2-methyl-phenyl)-1,4-diazepan-1-yl] N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-carbamate CAS Name: N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methylcarbamic acid [2-(4-fluoro-2-methylphenyl)-1,4-diazepan-1-yl] ester IUPAC Name: [2-(4-fluoro-2-methylphenyl)-1,4-diazepan-1-yl] N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methylcarbamate Traditional Name: N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-carbamic acid [2-(4-fluoro-2-methyl-phenyl)-1,4-diazepan-1-yl] ester Formula: C24H26F7N3O2 MolecularWeight: 521.470962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2CNCCCN2OC(=O)N(C)C(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2CNCCCN2OC(=O)N(C)C(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C24H26F7N3O2/c1-14-9-19(25)5-6-20(14)21-13-32-7-4-8-34(21)36-22(35)33(3)15(2)16-10-17(23(26,27)28)12-18(11-16)24(29,30)31/h5-6,9-12,15,21,32H,4,7-8,13H2,1-3H3