(5E)-5-[[(2-bromophenyl)amino]methylidene]-4-methyl-2,6-bis(oxidanylidene)-1-phenethyl-pyridine-3-carbonitrile

Systemtic Name: (5E)-5-[[(2-bromophenyl)amino]methylidene]-4-methyl-2,6-bis(oxidanylidene)-1-phenethyl-pyridine-3-carbonitrile Openeye Name: (5E)-5-[(2-bromoanilino)methylene]-4-methyl-2,6-dioxo-1-phenethyl-pyridine-3-carbonitrile CAS Name: (5E)-5-[(2-bromoanilino)methylidene]-4-methyl-2,6-dioxo-1-phenethyl-3-pyridinecarbonitrile IUPAC Name: (5E)-5-[(2-bromoanilino)methylidene]-4-methyl-2,6-dioxo-1-phenethylpyridine-3-carbonitrile Traditional Name: (5E)-5-[(2-bromoanilino)methylene]-2,6-diketo-4-methyl-1-phenethyl-nicotinonitrile Formula: C22H18BrN3O2 MolecularWeight: 436.30122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=O)C1=CNC2=CC=CC=C2Br)CCC3=CC=CC=C3)C#N

Isomeric SMILES

CC\1=C(C(=O)N(C(=O)/C1=C/NC2=CC=CC=C2Br)CCC3=CC=CC=C3)C#N

InChI

InChI=1S/C22H18BrN3O2/c1-15-17(13-24)21(27)26(12-11-16-7-3-2-4-8-16)22(28)18(15)14-25-20-10-6-5-9-19(20)23/h2-10,14,25H,11-12H2,1H3/b18-14+