[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] pyridine-3-carboxylate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C19H21N3O3 MolecularWeight: 339.38834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H21N3O3/c23-18(15-25-19(24)17-7-4-8-20-13-17)22-11-9-21(10-12-22)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2