1-(N'-cyanocarbamimidoyl)-N-[(4-fluorophenyl)methyl]-4-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-(N'-cyanocarbamimidoyl)-N-[(4-fluorophenyl)methyl]-4-phenyl-piperidine-4-carboxamide Openeye Name: 1-(N'-cyanocarbamimidoyl)-N-[(4-fluorophenyl)methyl]-4-phenyl-piperidine-4-carboxamide CAS Name: 1-[amino(cyanoimino)methyl]-N-[(4-fluorophenyl)methyl]-4-phenyl-4-piperidinecarboxamide IUPAC Name: 1-(N'-cyanocarbamimidoyl)-N-[(4-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxamide Traditional Name: 1-(N'-cyanoamidino)-N-(4-fluorobenzyl)-4-phenyl-isonipecotamide Formula: C21H22FN5O MolecularWeight: 379.430683

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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(=NC#N)N

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN5O/c22-18-8-6-16(7-9-18)14-25-19(28)21(17-4-2-1-3-5-17)10-12-27(13-11-21)20(24)26-15-23/h1-9H,10-14H2,(H2,24,26)(H,25,28)