7-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile

Systemtic Name: 7-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile Openeye Name: 7-(2-chloro-6-fluoro-phenyl)-5-methyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile CAS Name: 7-(2-chloro-6-fluorophenyl)-5-methyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile IUPAC Name: 7-(2-chloro-6-fluorophenyl)-5-methyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile Traditional Name: 7-(2-chloro-6-fluoro-phenyl)-5-methyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile Formula: C14H10ClFN4 MolecularWeight: 288.707403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(NC(C1)C2=C(C=CC=C2Cl)F)C#N)C#N

Isomeric SMILES

CC1=NC(=C(NC(C1)C2=C(C=CC=C2Cl)F)C#N)C#N

InChI

InChI=1S/C14H10ClFN4/c1-8-5-11(14-9(15)3-2-4-10(14)16)20-13(7-18)12(6-17)19-8/h2-4,11,20H,5H2,1H3