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

Systemtic Name: methyl 4-chloranyl-3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 4-chloro-3-[[2-[4-(2-pyridyl)piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 4-chloro-3-[[1-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 4-chloro-3-[[2-[4-(2-pyridyl)piperazino]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C21H22ClN5O3 MolecularWeight: 427.88408

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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=CC=N4

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC=C2Cl)NC(=O)CN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H22ClN5O3/c1-30-21(29)20-19(18-14(22)5-4-6-15(18)24-20)25-17(28)13-26-9-11-27(12-10-26)16-7-2-3-8-23-16/h2-8,24H,9-13H2,1H3,(H,25,28)