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

Systemtic Name: [2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]ethyl] pyridine-2-carboxylate Openeye Name: [2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxo-ethyl] pyridine-2-carboxylate CAS Name: 2-pyridinecarboxylic acid [2-oxo-2-[4-[4-(phenylmethyl)-1-piperazinyl]anilino]ethyl] ester IUPAC Name: [2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] pyridine-2-carboxylate Traditional Name: picolinic acid [2-[4-(4-benzylpiperazino)anilino]-2-keto-ethyl] ester Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=CC=CC=N4

InChI

InChI=1S/C25H26N4O3/c30-24(19-32-25(31)23-8-4-5-13-26-23)27-21-9-11-22(12-10-21)29-16-14-28(15-17-29)18-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,27,30)