3-azanyl-N-[[1-(N'-cyanocarbamimidoyl)-4-(3-fluorophenyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-[[1-(N'-cyanocarbamimidoyl)-4-(3-fluorophenyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[[1-(N'-cyanocarbamimidoyl)-4-(3-fluorophenyl)-4-piperidyl]methyl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[[1-[amino(cyanoimino)methyl]-4-(3-fluorophenyl)-4-piperidinyl]methyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[[1-(N'-cyanocarbamimidoyl)-4-(3-fluorophenyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[[1-(N'-cyanoamidino)-4-(3-fluorophenyl)-4-piperidyl]methyl]pyrazinamide Formula: C19H21FN8O MolecularWeight: 396.421443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN8O/c20-14-3-1-2-13(10-14)19(4-8-28(9-5-19)18(23)27-12-21)11-26-17(29)15-16(22)25-7-6-24-15/h1-3,6-7,10H,4-5,8-9,11H2,(H2,22,25)(H2,23,27)(H,26,29)