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

Systemtic Name: methyl 3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(2-pyridyl)piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 3-[[1-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-(2-pyridyl)piperazino]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H23N5O3/c1-29-21(28)20-19(15-6-2-3-7-16(15)23-20)24-18(27)14-25-10-12-26(13-11-25)17-8-4-5-9-22-17/h2-9,23H,10-14H2,1H3,(H,24,27)