2-[[4-(4-bromophenyl)-1-oxidanylidene-phthalazin-2-yl]methyl]pentanedinitrile

Systemtic Name: 2-[[4-(4-bromophenyl)-1-oxidanylidene-phthalazin-2-yl]methyl]pentanedinitrile Openeye Name: 2-[[4-(4-bromophenyl)-1-oxo-phthalazin-2-yl]methyl]pentanedinitrile CAS Name: 2-[[4-(4-bromophenyl)-1-oxo-2-phthalazinyl]methyl]pentanedinitrile IUPAC Name: 2-[[4-(4-bromophenyl)-1-oxophthalazin-2-yl]methyl]pentanedinitrile Traditional Name: 2-[[4-(4-bromophenyl)-1-keto-phthalazin-2-yl]methyl]glutaronitrile Formula: C20H15BrN4O MolecularWeight: 407.2633

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrN4O/c21-16-9-7-15(8-10-16)19-17-5-1-2-6-18(17)20(26)25(24-19)13-14(12-23)4-3-11-22/h1-2,5-10,14H,3-4,13H2