5-(4-bromophenyl)-7-methyl-6H-1,4-diazepine-2,3-dicarbonitrile

Systemtic Name: 5-(4-bromophenyl)-7-methyl-6H-1,4-diazepine-2,3-dicarbonitrile Openeye Name: 5-(4-bromophenyl)-7-methyl-6H-1,4-diazepine-2,3-dicarbonitrile CAS Name: 5-(4-bromophenyl)-7-methyl-6H-1,4-diazepine-2,3-dicarbonitrile IUPAC Name: 5-(4-bromophenyl)-7-methyl-6H-1,4-diazepine-2,3-dicarbonitrile Traditional Name: 5-(4-bromophenyl)-7-methyl-6H-1,4-diazepine-2,3-dicarbonitrile Formula: C14H9BrN4 MolecularWeight: 313.15206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N=C(C1)C2=CC=C(C=C2)Br)C#N)C#N

Isomeric SMILES

CC1=NC(=C(N=C(C1)C2=CC=C(C=C2)Br)C#N)C#N

InChI

InChI=1S/C14H9BrN4/c1-9-6-12(10-2-4-11(15)5-3-10)19-14(8-17)13(7-16)18-9/h2-5H,6H2,1H3