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

Systemtic Name: [7-(4-fluoranyl-2-methyl-phenyl)-4-methyl-1,4-diazepan-1-yl] N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-carbamate Openeye Name: [7-(4-fluoro-2-methyl-phenyl)-4-methyl-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 [7-(4-fluoro-2-methylphenyl)-4-methyl-1,4-diazepan-1-yl] ester IUPAC Name: [7-(4-fluoro-2-methylphenyl)-4-methyl-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 [7-(4-fluoro-2-methyl-phenyl)-4-methyl-1,4-diazepan-1-yl] ester Formula: C25H28F7N3O2 MolecularWeight: 535.497542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2CCN(CCN2OC(=O)N(C)C(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2CCN(CCN2OC(=O)N(C)C(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C

InChI

InChI=1S/C25H28F7N3O2/c1-15-11-20(26)5-6-21(15)22-7-8-33(3)9-10-35(22)37-23(36)34(4)16(2)17-12-18(24(27,28)29)14-19(13-17)25(30,31)32/h5-6,11-14,16,22H,7-10H2,1-4H3