[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2,3-dimethyl-1H-indole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2,3-dimethyl-1H-indole-5-carboxylate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2,3-dimethyl-1H-indole-5-carboxylate CAS Name: 2,3-dimethyl-1H-indole-5-carboxylic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2,3-dimethyl-1H-indole-5-carboxylate Traditional Name: 2,3-dimethyl-1H-indole-5-carboxylic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C21H23N5O3/c1-14-15(2)24-18-5-4-16(12-17(14)18)20(28)29-13-19(27)25-8-10-26(11-9-25)21-22-6-3-7-23-21/h3-7,12,24H,8-11,13H2,1-2H3