3-methyl-5-pentyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one

Systemtic Name: 3-methyl-5-pentyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one Openeye Name: 3-methyl-5-pentyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one CAS Name: 3-methyl-5-pentyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one IUPAC Name: 3-methyl-5-pentyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one Traditional Name: 5-amyl-3-methyl-5-(trifluoromethyl)-1H-1,4-benzodiazepin-2-one Formula: C16H19F3N2O MolecularWeight: 312.33007

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C2=CC=CC=C2NC(=O)C(=N1)C)C(F)(F)F

Isomeric SMILES

CCCCCC1(C2=CC=CC=C2NC(=O)C(=N1)C)C(F)(F)F

InChI

InChI=1S/C16H19F3N2O/c1-3-4-7-10-15(16(17,18)19)12-8-5-6-9-13(12)20-14(22)11(2)21-15/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,20,22)