phenacyl 4-[2,5-bis(oxidanylidene)-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoate

Systemtic Name: phenacyl 4-[2,5-bis(oxidanylidene)-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoate Openeye Name: phenacyl 4-[2,5-dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoate CAS Name: 4-[2,5-dioxo-3-(4-phenyl-1-piperazinyl)-1-pyrrolidinyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-[2,5-dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoate Traditional Name: 4-[2,5-diketo-3-(4-phenylpiperazino)pyrrolidino]benzoic acid phenacyl ester Formula: C29H27N3O5 MolecularWeight: 497.54178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H27N3O5/c33-26(21-7-3-1-4-8-21)20-37-29(36)22-11-13-24(14-12-22)32-27(34)19-25(28(32)35)31-17-15-30(16-18-31)23-9-5-2-6-10-23/h1-14,25H,15-20H2