[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-[(cyanoamino)-[4-[2-(1-piperidyl)ethyl]phenoxy]methylene]-4-fluoro-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-[(cyanoamino)-[4-(2-piperidinoethyl)phenoxy]methylene]-4-fluoro-benzamide Formula: C22H23FN4O2 MolecularWeight: 394.442023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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