1-[2-chloranyl-5-(4-piperazin-1-ylphenyl)phenyl]-N-(cyanomethyl)-4-fluoranyl-pyrrolidine-2-carboxamide

Systemtic Name: 1-[2-chloranyl-5-(4-piperazin-1-ylphenyl)phenyl]-N-(cyanomethyl)-4-fluoranyl-pyrrolidine-2-carboxamide Openeye Name: 1-[2-chloro-5-(4-piperazin-1-ylphenyl)phenyl]-N-(cyanomethyl)-4-fluoro-pyrrolidine-2-carboxamide CAS Name: 1-[2-chloro-5-[4-(1-piperazinyl)phenyl]phenyl]-N-(cyanomethyl)-4-fluoro-2-pyrrolidinecarboxamide IUPAC Name: 1-[2-chloro-5-(4-piperazin-1-ylphenyl)phenyl]-N-(cyanomethyl)-4-fluoropyrrolidine-2-carboxamide Traditional Name: 1-[2-chloro-5-(4-piperazinophenyl)phenyl]-N-(cyanomethyl)-4-fluoro-pyrrolidine-2-carboxamide Formula: C23H25ClFN5O MolecularWeight: 441.928903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C=C2)C3=CC(=C(C=C3)Cl)N4CC(CC4C(=O)NCC#N)F

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)C3=CC(=C(C=C3)Cl)N4CC(CC4C(=O)NCC#N)F

InChI

InChI=1S/C23H25ClFN5O/c24-20-6-3-17(16-1-4-19(5-2-16)29-11-9-27-10-12-29)13-21(20)30-15-18(25)14-22(30)23(31)28-8-7-26/h1-6,13,18,22,27H,8-12,14-15H2,(H,28,31)