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

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C19H20ClN3O3 MolecularWeight: 373.8334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C19H20ClN3O3/c20-18-16(7-4-8-21-18)19(25)26-14-17(24)23-11-9-22(10-12-23)13-15-5-2-1-3-6-15/h1-8H,9-14H2