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

Systemtic Name: ethyl 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethanoylamino]-5-fluoranyl-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-5-fluoro-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]amino]-5-fluoro-1H-indole-2-carboxylate Traditional Name: 5-fluoro-3-[[2-(4-piperonylpiperazino)acetyl]amino]-1H-indole-2-carboxylic acid ethyl ester Formula: C25H27FN4O5 MolecularWeight: 482.504083

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H27FN4O5/c1-2-33-25(32)24-23(18-12-17(26)4-5-19(18)27-24)28-22(31)14-30-9-7-29(8-10-30)13-16-3-6-20-21(11-16)35-15-34-20/h3-6,11-12,27H,2,7-10,13-15H2,1H3,(H,28,31)