ethyl 4-fluoranyl-2-oxaldehydoyl-3-[4-(phenylcarbonyl)piperazin-1-yl]-1H-indole-7-carboximidate

Systemtic Name: ethyl 4-fluoranyl-2-oxaldehydoyl-3-[4-(phenylcarbonyl)piperazin-1-yl]-1H-indole-7-carboximidate Openeye Name: ethyl 3-(4-benzoylpiperazin-1-yl)-4-fluoro-2-oxaldehydoyl-1H-indole-7-carboximidate CAS Name: 3-(4-benzoyl-1-piperazinyl)-4-fluoro-2-oxaldehydoyl-1H-indole-7-carboximidic acid ethyl ester IUPAC Name: ethyl 3-(4-benzoylpiperazin-1-yl)-4-fluoro-2-oxaldehydoyl-1H-indole-7-carboximidate Traditional Name: 3-(4-benzoylpiperazino)-4-fluoro-2-glyoxyloyl-1H-indole-7-carboximidic acid ethyl ester Formula: C24H23FN4O4 MolecularWeight: 450.462223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=N)C1=C2C(=C(C=C1)F)C(=C(N2)C(=O)C=O)N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=N)C1=C2C(=C(C=C1)F)C(=C(N2)C(=O)C=O)N3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H23FN4O4/c1-2-33-23(26)16-8-9-17(25)19-20(16)27-21(18(31)14-30)22(19)28-10-12-29(13-11-28)24(32)15-6-4-3-5-7-15/h3-9,14,26-27H,2,10-13H2,1H3