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

Systemtic Name: 1-methyl-3-[2-oxidanylidene-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]ethyl]indole-2-carboxylic acid Openeye Name: 1-methyl-3-[2-oxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]ethyl]indole-2-carboxylic acid CAS Name: 1-methyl-3-[2-oxo-2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propylamino]ethyl]-2-indolecarboxylic acid IUPAC Name: 1-methyl-3-[2-oxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]ethyl]indole-2-carboxylic acid Traditional Name: 3-[2-keto-2-[3-[4-(2-pyrimidyl)piperazino]propylamino]ethyl]-1-methyl-indole-2-carboxylic acid Formula: C23H28N6O3 MolecularWeight: 436.50682

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H28N6O3/c1-27-19-7-3-2-6-17(19)18(21(27)22(31)32)16-20(30)24-10-5-11-28-12-14-29(15-13-28)23-25-8-4-9-26-23/h2-4,6-9H,5,10-16H2,1H3,(H,24,30)(H,31,32)