2-[4-[[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]methyl]phenyl]benzenecarbonitrile hydrobromide

Systemtic Name: 2-[4-[[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]methyl]phenyl]benzenecarbonitrile hydrobromide Openeye Name: 2-[4-[[4-(tetrahydrofuran-2-carbonyl)piperazin-1-yl]methyl]phenyl]benzonitrile hydrobromide CAS Name: 2-[4-[[4-[oxo(2-oxolanyl)methyl]-1-piperazinyl]methyl]phenyl]benzonitrile hydrobromide IUPAC Name: 2-[4-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]phenyl]benzonitrile hydrobromide Traditional Name: 2-[4-[[4-(tetrahydrofuran-2-carbonyl)piperazino]methyl]phenyl]benzonitrile hydrobromide Formula: C23H26BrN3O2 MolecularWeight: 456.37544

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C4=CC=CC=C4C#N.Br

Isomeric SMILES

C1CC(OC1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C4=CC=CC=C4C#N.Br

InChI

InChI=1S/C23H25N3O2.BrH/c24-16-20-4-1-2-5-21(20)19-9-7-18(8-10-19)17-25-11-13-26(14-12-25)23(27)22-6-3-15-28-22;/h1-2,4-5,7-10,22H,3,6,11-15,17H2;1H