2-[[2-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)carbonyl-piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)carbonyl-piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-(1H-benzimidazol-2-yl)-4-(4-fluorobenzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-(1H-benzimidazol-2-yl)-4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 2-[[2-(1H-benzimidazol-2-yl)-4-(4-fluorobenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-(1H-benzimidazol-2-yl)-4-(4-fluorobenzoyl)piperazino]methyl]benzonitrile Formula: C26H22FN5O MolecularWeight: 439.484183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4N3)CC5=CC=CC=C5C#N

Isomeric SMILES

C1CN(C(CN1C(=O)C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4N3)CC5=CC=CC=C5C#N

InChI

InChI=1S/C26H22FN5O/c27-21-11-9-18(10-12-21)26(33)32-14-13-31(16-20-6-2-1-5-19(20)15-28)24(17-32)25-29-22-7-3-4-8-23(22)30-25/h1-12,24H,13-14,16-17H2,(H,29,30)