7-chloranyl-3-(2-methylpropyl)-5-pentyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-3-(2-methylpropyl)-5-pentyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-3-isobutyl-5-pentyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-3-(2-methylpropyl)-5-pentyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-3-(2-methylpropyl)-5-pentyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one Traditional Name: 5-amyl-7-chloro-3-isobutyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one Formula: C19H24ClF3N2O MolecularWeight: 388.85487

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C2=C(C=CC(=C2)Cl)NC(=O)C(=N1)CC(C)C)C(F)(F)F

Isomeric SMILES

CCCCCC1(C2=C(C=CC(=C2)Cl)NC(=O)C(=N1)CC(C)C)C(F)(F)F

InChI

InChI=1S/C19H24ClF3N2O/c1-4-5-6-9-18(19(21,22)23)14-11-13(20)7-8-15(14)24-17(26)16(25-18)10-12(2)3/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,24,26)