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

Systemtic Name: 7-chloranyl-5-(3-methylbut-2-enoxy)-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one Openeye Name: 7-chloro-5-(3-methylbut-2-enoxy)-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one CAS Name: 7-chloro-5-(3-methylbut-2-enoxy)-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one IUPAC Name: 7-chloro-5-(3-methylbut-2-enoxy)-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one Traditional Name: 7-chloro-5-(3-methylbut-2-enoxy)-5-(trifluoromethyl)-1H-1,3-benzodiazepin-2-one Formula: C15H14ClF3N2O2 MolecularWeight: 346.73207

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC1(C=NC(=O)NC2=C1C=C(C=C2)Cl)C(F)(F)F)C

Isomeric SMILES

CC(=CCOC1(C=NC(=O)NC2=C1C=C(C=C2)Cl)C(F)(F)F)C

InChI

InChI=1S/C15H14ClF3N2O2/c1-9(2)5-6-23-14(15(17,18)19)8-20-13(22)21-12-4-3-10(16)7-11(12)14/h3-5,7-8H,6H2,1-2H3,(H,21,22)