4-[[4-[6-(3-bromanylphenoxy)pyridin-3-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[6-(3-bromanylphenoxy)pyridin-3-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[6-(3-bromophenoxy)pyridine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[6-(3-bromophenoxy)-3-pyridinyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[6-(3-bromophenoxy)pyridine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[6-(3-bromophenoxy)nicotinoyl]piperazino]methyl]benzonitrile Formula: C24H21BrN4O2 MolecularWeight: 477.35314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CN=C(C=C3)OC4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CN=C(C=C3)OC4=CC(=CC=C4)Br

InChI

InChI=1S/C24H21BrN4O2/c25-21-2-1-3-22(14-21)31-23-9-8-20(16-27-23)24(30)29-12-10-28(11-13-29)17-19-6-4-18(15-26)5-7-19/h1-9,14,16H,10-13,17H2