2-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoylamino]-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide

Systemtic Name: 2-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoylamino]-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide Openeye Name: 2-[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide CAS Name: 2-[[2-(2-chloro-6-fluorophenyl)-1-oxoethyl]amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide IUPAC Name: 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide Traditional Name: 2-[[2-(2-chloro-6-fluoro-phenyl)acetyl]amino]-N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propionamide Formula: C27H24ClFN4O3 MolecularWeight: 506.955863

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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)C)NC(=O)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)NC(=O)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C27H24ClFN4O3/c1-16(30-23(34)15-19-20(28)12-8-13-21(19)29)26(35)32-25-27(36)33(2)22-14-7-6-11-18(22)24(31-25)17-9-4-3-5-10-17/h3-14,16,25H,15H2,1-2H3,(H,30,34)(H,32,35)