2-(3-butan-2-yl-7-chloranyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(3-fluoranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-(3-butan-2-yl-7-chloranyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(3-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-(7-chloro-2-oxo-5-phenyl-3-sec-butyl-3H-1,4-benzodiazepin-1-yl)-N-(3-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-(3-butan-2-yl-7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-(3-butan-2-yl-7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide Traditional Name: 2-(7-chloro-2-keto-5-phenyl-3-sec-butyl-3H-1,4-benzodiazepin-1-yl)-N-(3-fluoro-4-methyl-phenyl)acetamide Formula: C28H27ClFN3O2 MolecularWeight: 491.984283

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC(=O)NC4=CC(=C(C=C4)C)F

Isomeric SMILES

CCC(C)C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC(=O)NC4=CC(=C(C=C4)C)F

InChI

InChI=1S/C28H27ClFN3O2/c1-4-17(2)26-28(35)33(16-25(34)31-21-12-10-18(3)23(30)15-21)24-13-11-20(29)14-22(24)27(32-26)19-8-6-5-7-9-19/h5-15,17,26H,4,16H2,1-3H3,(H,31,34)