7-chloranyl-5-(3-methylbut-1-ynyl)-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-5-(3-methylbut-1-ynyl)-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-5-(3-methylbut-1-ynyl)-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-5-(3-methylbut-1-ynyl)-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-5-(3-methylbut-1-ynyl)-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-5-(3-methylbut-1-ynyl)-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one Formula: C15H12ClF3N2O MolecularWeight: 328.71679

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C#CC1(C2=C(C=CC(=C2)Cl)NC(=O)C=N1)C(F)(F)F

Isomeric SMILES

CC(C)C#CC1(C2=C(C=CC(=C2)Cl)NC(=O)C=N1)C(F)(F)F

InChI

InChI=1S/C15H12ClF3N2O/c1-9(2)5-6-14(15(17,18)19)11-7-10(16)3-4-12(11)21-13(22)8-20-14/h3-4,7-9H,1-2H3,(H,21,22)