3-[2-cyanoethyl-(phenylmethyl)carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[2-cyanoethyl-(phenylmethyl)carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[benzyl(2-cyanoethyl)carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[2-cyanoethyl-(phenylmethyl)amino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[benzyl(2-cyanoethyl)carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[benzyl(2-cyanoethyl)carbamoyl]pyrazinoic acid Formula: C16H14N4O3 MolecularWeight: 310.30736

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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)