3-[4-(4-bromophenyl)-1-oxidanylidene-phthalazin-2-yl]propanenitrile

Systemtic Name: 3-[4-(4-bromophenyl)-1-oxidanylidene-phthalazin-2-yl]propanenitrile Openeye Name: 3-[4-(4-bromophenyl)-1-oxo-phthalazin-2-yl]propanenitrile CAS Name: 3-[4-(4-bromophenyl)-1-oxo-2-phthalazinyl]propanenitrile IUPAC Name: 3-[4-(4-bromophenyl)-1-oxophthalazin-2-yl]propanenitrile Traditional Name: 3-[4-(4-bromophenyl)-1-keto-phthalazin-2-yl]propionitrile Formula: C17H12BrN3O MolecularWeight: 354.20068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCC#N)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCC#N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H12BrN3O/c18-13-8-6-12(7-9-13)16-14-4-1-2-5-15(14)17(22)21(20-16)11-3-10-19/h1-2,4-9H,3,11H2