[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4,6-dimethyl-1H-indole-2-carboxylate

Systemtic Name: [2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4,6-dimethyl-1H-indole-2-carboxylate Openeye Name: [2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-oxo-ethyl] 4,6-dimethyl-1H-indole-2-carboxylate CAS Name: 4,6-dimethyl-1H-indole-2-carboxylic acid [2-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate Traditional Name: 4,6-dimethyl-1H-indole-2-carboxylic acid [2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-keto-ethyl] ester Formula: C25H26FN3O4 MolecularWeight: 451.490043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NC2=C1)C(=O)OCC(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(=O)C)F)C

Isomeric SMILES

CC1=CC(=C2C=C(NC2=C1)C(=O)OCC(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(=O)C)F)C

InChI

InChI=1S/C25H26FN3O4/c1-15-10-16(2)19-13-22(27-21(19)11-15)25(32)33-14-24(31)29-8-6-28(7-9-29)23-5-4-18(17(3)30)12-20(23)26/h4-5,10-13,27H,6-9,14H2,1-3H3