3-[2-cyanoethyl-(phenylmethyl)carbamoyl]pyrazine-2-carboxylate

Systemtic Name: 3-[2-cyanoethyl-(phenylmethyl)carbamoyl]pyrazine-2-carboxylate Openeye Name: 3-[benzyl(2-cyanoethyl)carbamoyl]pyrazine-2-carboxylate CAS Name: 3-[[2-cyanoethyl-(phenylmethyl)amino]-oxomethyl]-2-pyrazinecarboxylate IUPAC Name: 3-[benzyl(2-cyanoethyl)carbamoyl]pyrazine-2-carboxylate Traditional Name: 3-[benzyl(2-cyanoethyl)carbamoyl]pyrazinate Formula: C16H13N4O3- MolecularWeight: 309.29942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC#N)C(=O)C2=NC=CN=C2C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC#N)C(=O)C2=NC=CN=C2C(=O)[O-]

InChI

InChI=1S/C16H14N4O3/c17-7-4-10-20(11-12-5-2-1-3-6-12)15(21)13-14(16(22)23)19-9-8-18-13/h1-3,5-6,8-9H,4,10-11H2,(H,22,23)/p-1