3-[3,4-bis(fluoranyl)phenyl]carbonyl-1-methyl-5-phenyl-1,3,4-benzotriazepin-2-one

Systemtic Name: 3-[3,4-bis(fluoranyl)phenyl]carbonyl-1-methyl-5-phenyl-1,3,4-benzotriazepin-2-one Openeye Name: 3-(3,4-difluorobenzoyl)-1-methyl-5-phenyl-1,3,4-benzotriazepin-2-one CAS Name: 3-[(3,4-difluorophenyl)-oxomethyl]-1-methyl-5-phenyl-1,3,4-benzotriazepin-2-one IUPAC Name: 3-(3,4-difluorobenzoyl)-1-methyl-5-phenyl-1,3,4-benzotriazepin-2-one Traditional Name: 3-(3,4-difluorobenzoyl)-1-methyl-5-phenyl-1,3,4-benzotriazepin-2-one Formula: C22H15F2N3O2 MolecularWeight: 391.370206

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NN(C1=O)C(=O)C3=CC(=C(C=C3)F)F)C4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=NN(C1=O)C(=O)C3=CC(=C(C=C3)F)F)C4=CC=CC=C4

InChI

InChI=1S/C22H15F2N3O2/c1-26-19-10-6-5-9-16(19)20(14-7-3-2-4-8-14)25-27(22(26)29)21(28)15-11-12-17(23)18(24)13-15/h2-13H,1H3