3-azanyl-N-[[1-[N-cyano-N'-(2-fluoranylethyl)carbamimidoyl]-4-phenyl-piperidin-4-yl]methyl]pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-[[1-[N-cyano-N'-(2-fluoranylethyl)carbamimidoyl]-4-phenyl-piperidin-4-yl]methyl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[[1-[N-cyano-N'-(2-fluoroethyl)carbamimidoyl]-4-phenyl-4-piperidyl]methyl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[[1-[(cyanoamino)-(2-fluoroethylimino)methyl]-4-phenyl-4-piperidinyl]methyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[[1-[N-cyano-N'-(2-fluoroethyl)carbamimidoyl]-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[[1-[N-cyano-N'-(2-fluoroethyl)amidino]-4-phenyl-4-piperidyl]methyl]pyrazinamide Formula: C21H25FN8O MolecularWeight: 424.474603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CNC(=O)C2=NC=CN=C2N)C3=CC=CC=C3)C(=NCCF)NC#N

Isomeric SMILES

C1CN(CCC1(CNC(=O)C2=NC=CN=C2N)C3=CC=CC=C3)C(=NCCF)NC#N

InChI

InChI=1S/C21H25FN8O/c22-8-9-27-20(29-15-23)30-12-6-21(7-13-30,16-4-2-1-3-5-16)14-28-19(31)17-18(24)26-11-10-25-17/h1-5,10-11H,6-9,12-14H2,(H2,24,26)(H,27,29)(H,28,31)