methyl 4-chloranyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 4-chloranyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 4-chloro-3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 4-chloro-3-[[2-[4-(4-fluorophenyl)-1-piperazinyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 4-chloro-3-[[2-[4-(4-fluorophenyl)piperazino]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C22H22ClFN4O3 MolecularWeight: 444.886483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC=C2Cl)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC=C2Cl)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22ClFN4O3/c1-31-22(30)21-20(19-16(23)3-2-4-17(19)25-21)26-18(29)13-27-9-11-28(12-10-27)15-7-5-14(24)6-8-15/h2-8,25H,9-13H2,1H3,(H,26,29)