N-(cyanomethyl)-1-[4-fluoranyl-3-(4-piperazin-1-ylphenyl)phenyl]piperidine-2-carboxamide

Systemtic Name: N-(cyanomethyl)-1-[4-fluoranyl-3-(4-piperazin-1-ylphenyl)phenyl]piperidine-2-carboxamide Openeye Name: N-(cyanomethyl)-1-[4-fluoro-3-(4-piperazin-1-ylphenyl)phenyl]piperidine-2-carboxamide CAS Name: N-(cyanomethyl)-1-[4-fluoro-3-[4-(1-piperazinyl)phenyl]phenyl]-2-piperidinecarboxamide IUPAC Name: N-(cyanomethyl)-1-[4-fluoro-3-(4-piperazin-1-ylphenyl)phenyl]piperidine-2-carboxamide Traditional Name: N-(cyanomethyl)-1-[4-fluoro-3-(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=CC(=C(C=C2)F)C3=CC=C(C=C3)N4CCNCC4

Isomeric SMILES

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

InChI

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