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

Systemtic Name: [2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-chloranylpyridine-4-carboxylate Openeye Name: [2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl] 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [2-[4-(diphenylmethyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid [2-(4-benzhydrylpiperazino)-2-keto-ethyl] ester Formula: C25H24ClN3O3 MolecularWeight: 449.92936

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)COC(=O)C4=CC(=NC=C4)Cl

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)COC(=O)C4=CC(=NC=C4)Cl

InChI

InChI=1S/C25H24ClN3O3/c26-22-17-21(11-12-27-22)25(31)32-18-23(30)28-13-15-29(16-14-28)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,24H,13-16,18H2