1-[N-cyano-N'-(phenylmethyl)carbamimidoyl]-N-[(4-fluorophenyl)methyl]-4-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-[N-cyano-N'-(phenylmethyl)carbamimidoyl]-N-[(4-fluorophenyl)methyl]-4-phenyl-piperidine-4-carboxamide Openeye Name: 1-(N'-benzyl-N-cyano-carbamimidoyl)-N-[(4-fluorophenyl)methyl]-4-phenyl-piperidine-4-carboxamide CAS Name: 1-[(cyanoamino)-(phenylmethyl)iminomethyl]-N-[(4-fluorophenyl)methyl]-4-phenyl-4-piperidinecarboxamide IUPAC Name: 1-(N'-benzyl-N-cyanocarbamimidoyl)-N-[(4-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxamide Traditional Name: 1-(N'-benzyl-N-cyano-amidino)-N-(4-fluorobenzyl)-4-phenyl-isonipecotamide Formula: C28H28FN5O MolecularWeight: 469.553223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)F)C(=NCC4=CC=CC=C4)NC#N

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)F)C(=NCC4=CC=CC=C4)NC#N

InChI

InChI=1S/C28H28FN5O/c29-25-13-11-23(12-14-25)19-31-26(35)28(24-9-5-2-6-10-24)15-17-34(18-16-28)27(33-21-30)32-20-22-7-3-1-4-8-22/h1-14H,15-20H2,(H,31,35)(H,32,33)