phenyl-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone

Systemtic Name: phenyl-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone Openeye Name: phenyl-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone CAS Name: phenyl-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone IUPAC Name: phenyl-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone Traditional Name: phenyl-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone Formula: C13H11F3N2O MolecularWeight: 268.23445

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C=CC(=N1)C(F)(F)F)C(=O)C2=CC=CC=C2

Isomeric SMILES

C1CN(C=CC(=N1)C(F)(F)F)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H11F3N2O/c14-13(15,16)11-6-8-18(9-7-17-11)12(19)10-4-2-1-3-5-10/h1-6,8H,7,9H2