phenyl 4-fluoranyl-3-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethanoyl]indole-1-carboxylate

Systemtic Name: phenyl 4-fluoranyl-3-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethanoyl]indole-1-carboxylate Openeye Name: phenyl 3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-indole-1-carboxylate CAS Name: 3-[2-(4-benzoyl-1-piperazinyl)-1,2-dioxoethyl]-4-fluoro-1-indolecarboxylic acid phenyl ester IUPAC Name: phenyl 3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoroindole-1-carboxylate Traditional Name: 3-[2-(4-benzoylpiperazino)-2-keto-acetyl]-4-fluoro-indole-1-carboxylic acid phenyl ester Formula: C28H22FN3O5 MolecularWeight: 499.489783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CN(C4=C3C(=CC=C4)F)C(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CN(C4=C3C(=CC=C4)F)C(=O)OC5=CC=CC=C5

InChI

InChI=1S/C28H22FN3O5/c29-22-12-7-13-23-24(22)21(18-32(23)28(36)37-20-10-5-2-6-11-20)25(33)27(35)31-16-14-30(15-17-31)26(34)19-8-3-1-4-9-19/h1-13,18H,14-17H2