4-[3-[3-[3,5-bis(trifluoromethyl)phenyl]propanoylamino]-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzamide

Systemtic Name: 4-[3-[3-[3,5-bis(trifluoromethyl)phenyl]propanoylamino]-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzamide Openeye Name: 4-[3-[3-[3,5-bis(trifluoromethyl)phenyl]propanoylamino]-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide CAS Name: 4-[3-[[3-[3,5-bis(trifluoromethyl)phenyl]-1-oxopropyl]amino]-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide IUPAC Name: 4-[3-[3-[3,5-bis(trifluoromethyl)phenyl]propanoylamino]-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide Traditional Name: 4-[3-[3-[3,5-bis(trifluoromethyl)phenyl]propanoylamino]-2-keto-1-methyl-3H-1,4-benzodiazepin-5-yl]benzamide Formula: C28H22F6N4O3 MolecularWeight: 576.489699

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)CCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)CCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C28H22F6N4O3/c1-38-21-5-3-2-4-20(21)23(16-7-9-17(10-8-16)24(35)40)37-25(26(38)41)36-22(39)11-6-15-12-18(27(29,30)31)14-19(13-15)28(32,33)34/h2-5,7-10,12-14,25H,6,11H2,1H3,(H2,35,40)(H,36,39)