methyl 1-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]indole-3-carboxylate CAS Name: 1-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]indole-3-carboxylate Traditional Name: 1-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]indole-3-carboxylic acid methyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H21N5O3/c1-28-19(27)16-13-25(17-6-3-2-5-15(16)17)14-18(26)23-9-11-24(12-10-23)20-21-7-4-8-22-20/h2-8,13H,9-12,14H2,1H3