(2S)-1-[4-chloranyl-3-(4-piperazin-1-ylphenyl)phenyl]-N-(cyanomethyl)-4,4-bis(fluoranyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[4-chloranyl-3-(4-piperazin-1-ylphenyl)phenyl]-N-(cyanomethyl)-4,4-bis(fluoranyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[4-chloro-3-(4-piperazin-1-ylphenyl)phenyl]-N-(cyanomethyl)-4,4-difluoro-pyrrolidine-2-carboxamide CAS Name: (2S)-1-[4-chloro-3-[4-(1-piperazinyl)phenyl]phenyl]-N-(cyanomethyl)-4,4-difluoro-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[4-chloro-3-(4-piperazin-1-ylphenyl)phenyl]-N-(cyanomethyl)-4,4-difluoropyrrolidine-2-carboxamide Traditional Name: (2S)-1-[4-chloro-3-(4-piperazinophenyl)phenyl]-N-(cyanomethyl)-4,4-difluoro-pyrrolidine-2-carboxamide Formula: C23H24ClF2N5O MolecularWeight: 459.919366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)C3=C(C=CC(=C3)N4CC(C[C@H]4C(=O)NCC#N)(F)F)Cl

InChI

InChI=1S/C23H24ClF2N5O/c24-20-6-5-18(31-15-23(25,26)14-21(31)22(32)29-8-7-27)13-19(20)16-1-3-17(4-2-16)30-11-9-28-10-12-30/h1-6,13,21,28H,8-12,14-15H2,(H,29,32)/t21-/m0/s1