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

Systemtic Name: N-(cyanomethyl)-1-[2-fluoranyl-5-(4-piperazin-1-ylphenyl)phenyl]piperidine-2-carboxamide Openeye Name: N-(cyanomethyl)-1-[2-fluoro-5-(4-piperazin-1-ylphenyl)phenyl]piperidine-2-carboxamide CAS Name: N-(cyanomethyl)-1-[2-fluoro-5-[4-(1-piperazinyl)phenyl]phenyl]-2-piperidinecarboxamide IUPAC Name: N-(cyanomethyl)-1-[2-fluoro-5-(4-piperazin-1-ylphenyl)phenyl]piperidine-2-carboxamide Traditional Name: N-(cyanomethyl)-1-[2-fluoro-5-(4-piperazinophenyl)phenyl]pipecolinamide Formula: C24H28FN5O MolecularWeight: 421.510423

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NCC#N)C2=C(C=CC(=C2)C3=CC=C(C=C3)N4CCNCC4)F

Isomeric SMILES

C1CCN(C(C1)C(=O)NCC#N)C2=C(C=CC(=C2)C3=CC=C(C=C3)N4CCNCC4)F

InChI

InChI=1S/C24H28FN5O/c25-21-9-6-19(18-4-7-20(8-5-18)29-15-12-27-13-16-29)17-23(21)30-14-2-1-3-22(30)24(31)28-11-10-26/h4-9,17,22,27H,1-3,11-16H2,(H,28,31)