3-[4-[[(5-chloranyl-6-fluoranyl-1H-benzimidazol-2-yl)methylamino]-piperidin-4-yl-methyl]phenyl]benzenecarbonitrile

Systemtic Name: 3-[4-[[(5-chloranyl-6-fluoranyl-1H-benzimidazol-2-yl)methylamino]-piperidin-4-yl-methyl]phenyl]benzenecarbonitrile Openeye Name: 3-[4-[[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)methylamino]-(4-piperidyl)methyl]phenyl]benzonitrile CAS Name: 3-[4-[[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)methylamino]-(4-piperidinyl)methyl]phenyl]benzonitrile IUPAC Name: 3-[4-[[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)methylamino]-piperidin-4-ylmethyl]phenyl]benzonitrile Traditional Name: 3-[4-[[(5-chloro-6-fluoro-1H-benzimidazol-2-yl)methylamino]-(4-piperidyl)methyl]phenyl]benzonitrile Formula: C27H25ClFN5 MolecularWeight: 473.972303

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(C2=CC=C(C=C2)C3=CC=CC(=C3)C#N)NCC4=NC5=CC(=C(C=C5N4)F)Cl

Isomeric SMILES

C1CNCCC1C(C2=CC=C(C=C2)C3=CC=CC(=C3)C#N)NCC4=NC5=CC(=C(C=C5N4)F)Cl

InChI

InChI=1S/C27H25ClFN5/c28-22-13-24-25(14-23(22)29)34-26(33-24)16-32-27(20-8-10-31-11-9-20)19-6-4-18(5-7-19)21-3-1-2-17(12-21)15-30/h1-7,12-14,20,27,31-32H,8-11,16H2,(H,33,34)