2-[7-bromanyl-1-methyl-5-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodiazepin-2-yl]ethanenitrile

Systemtic Name: 2-[7-bromanyl-1-methyl-5-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodiazepin-2-yl]ethanenitrile Openeye Name: 2-[7-bromo-1-methyl-5-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodiazepin-2-yl]acetonitrile CAS Name: 2-[7-bromo-1-methyl-5-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodiazepin-2-yl]acetonitrile IUPAC Name: 2-[7-bromo-1-methyl-5-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodiazepin-2-yl]acetonitrile Traditional Name: 2-[7-bromo-1-methyl-5-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodiazepin-2-yl]acetonitrile Formula: C19H15BrF3N3 MolecularWeight: 422.24171

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3C(F)(F)F)CC#N

Isomeric SMILES

CN1C(CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3C(F)(F)F)CC#N

InChI

InChI=1S/C19H15BrF3N3/c1-26-13(8-9-24)11-25-18(15-10-12(20)6-7-17(15)26)14-4-2-3-5-16(14)19(21,22)23/h2-7,10,13H,8,11H2,1H3