[4-(2-piperidin-1-ylethyl)phenyl] N-cyano-N-(4-fluorophenyl)carbonyl-carbamimidate

Systemtic Name: [4-(2-piperidin-1-ylethyl)phenyl] N-cyano-N-(4-fluorophenyl)carbonyl-carbamimidate Openeye Name: N-cyano-4-fluoro-N-[[4-[2-(1-piperidyl)ethyl]phenoxy]carbonimidoyl]benzamide CAS Name: N-cyano-N-[(4-fluorophenyl)-oxomethyl]carbamimidic acid [4-[2-(1-piperidinyl)ethyl]phenyl] ester IUPAC Name: [4-(2-piperidin-1-ylethyl)phenyl] N-cyano-N-(4-fluorobenzoyl)carbamimidate Traditional Name: N-cyano-4-fluoro-N-[[4-(2-piperidinoethyl)phenoxy]carbonimidoyl]benzamide Formula: C22H23FN4O2 MolecularWeight: 394.442023

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC2=CC=C(C=C2)OC(=N)N(C#N)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(CC1)CCC2=CC=C(C=C2)OC(=N)N(C#N)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FN4O2/c23-19-8-6-18(7-9-19)21(28)27(16-24)22(25)29-20-10-4-17(5-11-20)12-15-26-13-2-1-3-14-26/h4-11,25H,1-3,12-15H2