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

Systemtic Name: 3-azanyl-N-[[1-[N-cyano-N'-(2-hydroxyethyl)carbamimidoyl]-4-phenyl-piperidin-4-yl]methyl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[[1-[N-cyano-N'-(2-hydroxyethyl)carbamimidoyl]-4-phenyl-4-piperidyl]methyl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[[1-[(cyanoamino)-(2-hydroxyethylimino)methyl]-4-phenyl-4-piperidinyl]methyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[[1-[N-cyano-N'-(2-hydroxyethyl)carbamimidoyl]-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[[1-[N-cyano-N'-(2-hydroxyethyl)amidino]-4-phenyl-4-piperidyl]methyl]pyrazinamide Formula: C21H26N8O2 MolecularWeight: 422.48354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N8O2/c22-15-28-20(26-10-13-30)29-11-6-21(7-12-29,16-4-2-1-3-5-16)14-27-19(31)17-18(23)25-9-8-24-17/h1-5,8-9,30H,6-7,10-14H2,(H2,23,25)(H,26,28)(H,27,31)