2-[4-[4-(4-bromophenyl)-4-oxidanylidene-butanoyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[4-(4-bromophenyl)-4-oxidanylidene-butanoyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[4-(4-bromophenyl)-4-oxo-butanoyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[4-(4-bromophenyl)-1,4-dioxobutyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[4-(4-bromophenyl)-4-oxobutanoyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[4-(4-bromophenyl)-4-keto-butanoyl]piperazino]isonicotinonitrile Formula: C20H19BrN4O2 MolecularWeight: 427.29446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)CCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)CCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H19BrN4O2/c21-17-3-1-16(2-4-17)18(26)5-6-20(27)25-11-9-24(10-12-25)19-13-15(14-22)7-8-23-19/h1-4,7-8,13H,5-6,9-12H2