ethyl 5-fluoranyl-3-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-fluoranyl-3-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5-fluoro-1H-indole-2-carboxylate CAS Name: 5-fluoro-3-[[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5-fluoro-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-benzylpiperazino)acetyl]amino]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester Formula: C24H27FN4O3 MolecularWeight: 438.494583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27FN4O3/c1-2-32-24(31)23-22(19-14-18(25)8-9-20(19)26-23)27-21(30)16-29-12-10-28(11-13-29)15-17-6-4-3-5-7-17/h3-9,14,26H,2,10-13,15-16H2,1H3,(H,27,30)