3-[2,4-bis(trifluoromethyl)phenyl]-N-(1-ethyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)propanamide

Systemtic Name: 3-[2,4-bis(trifluoromethyl)phenyl]-N-(1-ethyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)propanamide Openeye Name: 3-[2,4-bis(trifluoromethyl)phenyl]-N-(1-ethyl-2-oxo-3H-1,4-benzodiazepin-3-yl)propanamide CAS Name: 3-[2,4-bis(trifluoromethyl)phenyl]-N-(1-ethyl-2-oxo-3H-1,4-benzodiazepin-3-yl)propanamide IUPAC Name: 3-[2,4-bis(trifluoromethyl)phenyl]-N-(1-ethyl-2-oxo-3H-1,4-benzodiazepin-3-yl)propanamide Traditional Name: 3-[2,4-bis(trifluoromethyl)phenyl]-N-(1-ethyl-2-keto-3H-1,4-benzodiazepin-3-yl)propionamide Formula: C22H19F6N3O2 MolecularWeight: 471.395579

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C=NC(C1=O)NC(=O)CCC3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCN1C2=CC=CC=C2C=NC(C1=O)NC(=O)CCC3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C22H19F6N3O2/c1-2-31-17-6-4-3-5-14(17)12-29-19(20(31)33)30-18(32)10-8-13-7-9-15(21(23,24)25)11-16(13)22(26,27)28/h3-7,9,11-12,19H,2,8,10H2,1H3,(H,30,32)