[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 1,2-dihydroacenaphthylene-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 1,2-dihydroacenaphthylene-5-carboxylate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 1,2-dihydroacenaphthylene-5-carboxylate CAS Name: 1,2-dihydroacenaphthylene-5-carboxylic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate Traditional Name: acenaphthene-5-carboxylic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC3=C(C=CC1=C23)C(=O)OCC(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CC2=CC=CC3=C(C=CC1=C23)C(=O)OCC(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H26N2O3/c29-24(28-15-13-27(14-16-28)17-19-5-2-1-3-6-19)18-31-26(30)23-12-11-21-10-9-20-7-4-8-22(23)25(20)21/h1-8,11-12H,9-10,13-18H2