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

Systemtic Name: 3-[2-[4-(phenylmethyl)piperazin-1-yl]ethylcarbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[2-(4-benzylpiperazin-1-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[oxo-[2-[4-(phenylmethyl)-1-piperazinyl]ethylamino]methyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[2-(4-benzylpiperazin-1-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[2-(4-benzylpiperazino)ethylcarbamoyl]pyrazinoic acid Formula: C19H23N5O3 MolecularWeight: 369.41762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C2=NC=CN=C2C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCNC(=O)C2=NC=CN=C2C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C19H23N5O3/c25-18(16-17(19(26)27)21-7-6-20-16)22-8-9-23-10-12-24(13-11-23)14-15-4-2-1-3-5-15/h1-7H,8-14H2,(H,22,25)(H,26,27)