[7-(4-fluoranyl-2-methyl-phenyl)-1,4-diazepan-1-yl] N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-carbamate

Systemtic Name: [7-(4-fluoranyl-2-methyl-phenyl)-1,4-diazepan-1-yl] N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-carbamate Openeye Name: [7-(4-fluoro-2-methyl-phenyl)-1,4-diazepan-1-yl] N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-carbamate CAS Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methylcarbamic acid [7-(4-fluoro-2-methylphenyl)-1,4-diazepan-1-yl] ester IUPAC Name: [7-(4-fluoro-2-methylphenyl)-1,4-diazepan-1-yl] N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methylcarbamate Traditional Name: N-[3,5-bis(trifluoromethyl)benzyl]-N-methyl-carbamic acid [7-(4-fluoro-2-methyl-phenyl)-1,4-diazepan-1-yl] ester Formula: C23H24F7N3O2 MolecularWeight: 507.444382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2CCNCCN2OC(=O)N(C)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2CCNCCN2OC(=O)N(C)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C23H24F7N3O2/c1-14-9-18(24)3-4-19(14)20-5-6-31-7-8-33(20)35-21(34)32(2)13-15-10-16(22(25,26)27)12-17(11-15)23(28,29)30/h3-4,9-12,20,31H,5-8,13H2,1-2H3