methyl 5,6-dimethoxy-3-[2-(4-phenylpiperazin-1-yl)ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5,6-dimethoxy-3-[2-(4-phenylpiperazin-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5,6-dimethoxy-3-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5,6-dimethoxy-3-[[1-oxo-2-(4-phenyl-1-piperazinyl)ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5,6-dimethoxy-3-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5,6-dimethoxy-3-[[2-(4-phenylpiperazino)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C24H28N4O5 MolecularWeight: 452.50292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(N2)C(=O)OC)NC(=O)CN3CCN(CC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(N2)C(=O)OC)NC(=O)CN3CCN(CC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C24H28N4O5/c1-31-19-13-17-18(14-20(19)32-2)25-23(24(30)33-3)22(17)26-21(29)15-27-9-11-28(12-10-27)16-7-5-4-6-8-16/h4-8,13-14,25H,9-12,15H2,1-3H3,(H,26,29)