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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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