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

Systemtic Name: ethyl 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoylamino]-5-fluoranyl-1H-indole-2-carboxylate Openeye Name: ethyl 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoylamino]-5-fluoro-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxopropyl]amino]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoylamino]-5-fluoro-1H-indole-2-carboxylate Traditional Name: 5-fluoro-3-[2-(4-piperonylpiperazino)propanoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C26H29FN4O5 MolecularWeight: 496.530663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C(C)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C(C)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H29FN4O5/c1-3-34-26(33)24-23(19-13-18(27)5-6-20(19)28-24)29-25(32)16(2)31-10-8-30(9-11-31)14-17-4-7-21-22(12-17)36-15-35-21/h4-7,12-13,16,28H,3,8-11,14-15H2,1-2H3,(H,29,32)