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

Systemtic Name: 3-azanyl-N-[[1-(N-cyano-N'-ethyl-carbamimidoyl)-4-phenyl-piperidin-4-yl]methyl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[[1-(N-cyano-N'-ethyl-carbamimidoyl)-4-phenyl-4-piperidyl]methyl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[[1-[(cyanoamino)-ethyliminomethyl]-4-phenyl-4-piperidinyl]methyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[[1-(N-cyano-N'-ethylcarbamimidoyl)-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[[1-(N-cyano-N'-ethyl-amidino)-4-phenyl-4-piperidyl]methyl]pyrazinamide Formula: C21H26N8O MolecularWeight: 406.48414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N8O/c1-2-24-20(28-15-22)29-12-8-21(9-13-29,16-6-4-3-5-7-16)14-27-19(30)17-18(23)26-11-10-25-17/h3-7,10-11H,2,8-9,12-14H2,1H3,(H2,23,26)(H,24,28)(H,27,30)