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

Systemtic Name: methyl 4-chloranyl-3-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-4-chloro-1H-indole-2-carboxylate CAS Name: 4-chloro-3-[[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-4-chloro-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-benzylpiperazino)acetyl]amino]-4-chloro-1H-indole-2-carboxylic acid methyl ester Formula: C23H25ClN4O3 MolecularWeight: 440.9226

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC=C2Cl)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC=C2Cl)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25ClN4O3/c1-31-23(30)22-21(20-17(24)8-5-9-18(20)25-22)26-19(29)15-28-12-10-27(11-13-28)14-16-6-3-2-4-7-16/h2-9,25H,10-15H2,1H3,(H,26,29)