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Summary

Name:2-[(4~{R})-4-(2-methylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-(trifluoromethyl)phenyl]ethanamide
Formula:C16 H18 F3 N3 O3
Formal charge:0
Molecular weight:357.328 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[(4~{R})-4-(2-methylpropyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-(trifluoromethyl)phenyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C16H18F3N3O3/c1-9(2)7-12-14(24)22(15(25)21-12)8-13(23)20-11-5-3-10(4-6-11)16(17,18)19/h3-6,9,12H,7-8H2,1-2H3,(H,20,23)(H,21,25)/t12-/m1/s1
InChIKeyInChI1.03MBIZXWSVLJMQRX-GFCCVEGCSA-N
SMILES_CANONICALCACTVS3.385CC(C)C[C@H]1NC(=O)N(CC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O
SMILESCACTVS3.385CC(C)C[CH]1NC(=O)N(CC(=O)Nc2ccc(cc2)C(F)(F)F)C1=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)C[C@@H]1C(=O)N(C(=O)N1)CC(=O)Nc2ccc(cc2)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7CC(C)CC1C(=O)N(C(=O)N1)CC(=O)Nc2ccc(cc2)C(F)(F)F