3-[4-(phenylmethyl)piperazin-1-yl]carbonylpyrazine-2-carboxylic acid

Systemtic Name: 3-[4-(phenylmethyl)piperazin-1-yl]carbonylpyrazine-2-carboxylic acid Openeye Name: 3-(4-benzylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid CAS Name: 3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-(4-benzylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid Traditional Name: 3-(4-benzylpiperazine-1-carbonyl)pyrazinoic acid Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=NC=CN=C3C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=NC=CN=C3C(=O)O

InChI

InChI=1S/C17H18N4O3/c22-16(14-15(17(23)24)19-7-6-18-14)21-10-8-20(9-11-21)12-13-4-2-1-3-5-13/h1-7H,8-12H2,(H,23,24)