ethyl 5-fluoranyl-3-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-fluoranyl-3-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[2-[4-[(E)-cinnamyl]piperazin-1-yl]propanoylamino]-5-fluoro-1H-indole-2-carboxylate CAS Name: 5-fluoro-3-[[1-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]propyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-fluoro-3-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate Traditional Name: 3-[2-[4-[(E)-cinnamyl]piperazino]propanoylamino]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester Formula: C27H31FN4O3 MolecularWeight: 478.558443

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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)CC=CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)C(C)N3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H31FN4O3/c1-3-35-27(34)25-24(22-18-21(28)11-12-23(22)29-25)30-26(33)19(2)32-16-14-31(15-17-32)13-7-10-20-8-5-4-6-9-20/h4-12,18-19,29H,3,13-17H2,1-2H3,(H,30,33)/b10-7+