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

Systemtic Name: [2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[4-(diphenylmethyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(4-benzhydrylpiperazino)-2-keto-ethyl] ester Formula: C25H25N3O3 MolecularWeight: 415.4843

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3/c29-23(19-31-25(30)22-12-7-13-26-18-22)27-14-16-28(17-15-27)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18,24H,14-17,19H2