3-(2-methylpropyl)-N'-[2-oxidanylidene-5-phenyl-1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-3H-1,4-benzodiazepin-3-yl]-2-propyl-butanediamide

Systemtic Name: 3-(2-methylpropyl)-N'-[2-oxidanylidene-5-phenyl-1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-3H-1,4-benzodiazepin-3-yl]-2-propyl-butanediamide Openeye Name: 3-isobutyl-N'-[2-oxo-5-phenyl-1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-3H-1,4-benzodiazepin-3-yl]-2-propyl-butanediamide CAS Name: 3-(2-methylpropyl)-N'-[2-oxo-5-phenyl-1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-3H-1,4-benzodiazepin-3-yl]-2-propylbutanediamide IUPAC Name: 3-(2-methylpropyl)-N'-[2-oxo-5-phenyl-1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-3H-1,4-benzodiazepin-3-yl]-2-propylbutanediamide Traditional Name: 3-isobutyl-N'-[2-keto-5-phenyl-1-[3-[4-(trifluoromethyl)phenyl]benzyl]-3H-1,4-benzodiazepin-3-yl]-2-propyl-succinamide Formula: C40H41F3N4O3 MolecularWeight: 682.77375

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(C)C)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC4=CC=CC(=C4)C5=CC=C(C=C5)C(F)(F)F)C(=O)N

Isomeric SMILES

CCCC(C(CC(C)C)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC4=CC=CC(=C4)C5=CC=C(C=C5)C(F)(F)F)C(=O)N

InChI

InChI=1S/C40H41F3N4O3/c1-4-11-31(36(44)48)33(22-25(2)3)38(49)46-37-39(50)47(34-17-9-8-16-32(34)35(45-37)28-13-6-5-7-14-28)24-26-12-10-15-29(23-26)27-18-20-30(21-19-27)40(41,42)43/h5-10,12-21,23,25,31,33,37H,4,11,22,24H2,1-3H3,(H2,44,48)(H,46,49)