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

Systemtic Name: 3-azanyl-N-[[1-[N-cyano-N'-(pyridin-3-ylmethyl)carbamimidoyl]-4-phenyl-piperidin-4-yl]methyl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[[1-[N-cyano-N'-(3-pyridylmethyl)carbamimidoyl]-4-phenyl-4-piperidyl]methyl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[[1-[(cyanoamino)-(3-pyridinylmethylimino)methyl]-4-phenyl-4-piperidinyl]methyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[[1-[N-cyano-N'-(pyridin-3-ylmethyl)carbamimidoyl]-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[[1-[N-cyano-N'-(3-pyridylmethyl)amidino]-4-phenyl-4-piperidyl]methyl]pyrazinamide Formula: C25H27N9O MolecularWeight: 469.54158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CNC(=O)C2=NC=CN=C2N)C3=CC=CC=C3)C(=NCC4=CN=CC=C4)NC#N

Isomeric SMILES

C1CN(CCC1(CNC(=O)C2=NC=CN=C2N)C3=CC=CC=C3)C(=NCC4=CN=CC=C4)NC#N

InChI

InChI=1S/C25H27N9O/c26-18-33-24(31-16-19-5-4-10-28-15-19)34-13-8-25(9-14-34,20-6-2-1-3-7-20)17-32-23(35)21-22(27)30-12-11-29-21/h1-7,10-12,15H,8-9,13-14,16-17H2,(H2,27,30)(H,31,33)(H,32,35)