2-[2-(3-fluorophenyl)ethanoylamino]-N-[2-oxidanylidene-5-phenyl-1-[4,4,4-tris(fluoranyl)butyl]-3H-1,4-benzodiazepin-3-yl]propanamide

Systemtic Name: 2-[2-(3-fluorophenyl)ethanoylamino]-N-[2-oxidanylidene-5-phenyl-1-[4,4,4-tris(fluoranyl)butyl]-3H-1,4-benzodiazepin-3-yl]propanamide Openeye Name: 2-[[2-(3-fluorophenyl)acetyl]amino]-N-[2-oxo-5-phenyl-1-(4,4,4-trifluorobutyl)-3H-1,4-benzodiazepin-3-yl]propanamide CAS Name: 2-[[2-(3-fluorophenyl)-1-oxoethyl]amino]-N-[2-oxo-5-phenyl-1-(4,4,4-trifluorobutyl)-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: 2-[[2-(3-fluorophenyl)acetyl]amino]-N-[2-oxo-5-phenyl-1-(4,4,4-trifluorobutyl)-3H-1,4-benzodiazepin-3-yl]propanamide Traditional Name: 2-[[2-(3-fluorophenyl)acetyl]amino]-N-[2-keto-5-phenyl-1-(4,4,4-trifluorobutyl)-3H-1,4-benzodiazepin-3-yl]propionamide Formula: C30H28F4N4O3 MolecularWeight: 568.561933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H28F4N4O3/c1-19(35-25(39)18-20-9-7-12-22(31)17-20)28(40)37-27-29(41)38(16-8-15-30(32,33)34)24-14-6-5-13-23(24)26(36-27)21-10-3-2-4-11-21/h2-7,9-14,17,19,27H,8,15-16,18H2,1H3,(H,35,39)(H,37,40)