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

Systemtic Name: 3-azanyl-N-[[1-[N-cyano-N'-(2-methoxyethyl)carbamimidoyl]-4-phenyl-piperidin-4-yl]methyl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[[1-[N-cyano-N'-(2-methoxyethyl)carbamimidoyl]-4-phenyl-4-piperidyl]methyl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[[1-[(cyanoamino)-(2-methoxyethylimino)methyl]-4-phenyl-4-piperidinyl]methyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[[1-[N-cyano-N'-(2-methoxyethyl)carbamimidoyl]-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[[1-[N-cyano-N'-(2-methoxyethyl)amidino]-4-phenyl-4-piperidyl]methyl]pyrazinamide Formula: C22H28N8O2 MolecularWeight: 436.51012

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Descriptors Computed from Structure

Canonical SMILES:

COCCN=C(NC#N)N1CCC(CC1)(CNC(=O)C2=NC=CN=C2N)C3=CC=CC=C3

Isomeric SMILES

COCCN=C(NC#N)N1CCC(CC1)(CNC(=O)C2=NC=CN=C2N)C3=CC=CC=C3

InChI

InChI=1S/C22H28N8O2/c1-32-14-11-27-21(29-16-23)30-12-7-22(8-13-30,17-5-3-2-4-6-17)15-28-20(31)18-19(24)26-10-9-25-18/h2-6,9-10H,7-8,11-15H2,1H3,(H2,24,26)(H,27,29)(H,28,31)