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

Systemtic Name: 1-methyl-3-[2-oxidanylidene-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]ethyl]indole-2-carboxylic acid Openeye Name: 1-methyl-3-[2-oxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]ethyl]indole-2-carboxylic acid CAS Name: 1-methyl-3-[2-oxo-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butylamino]ethyl]-2-indolecarboxylic acid IUPAC Name: 1-methyl-3-[2-oxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butylamino]ethyl]indole-2-carboxylic acid Traditional Name: 3-[2-keto-2-[4-[4-(2-pyrimidyl)piperazino]butylamino]ethyl]-1-methyl-indole-2-carboxylic acid Formula: C24H30N6O3 MolecularWeight: 450.5334

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NCCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NCCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C24H30N6O3/c1-28-20-8-3-2-7-18(20)19(22(28)23(32)33)17-21(31)25-9-4-5-12-29-13-15-30(16-14-29)24-26-10-6-11-27-24/h2-3,6-8,10-11H,4-5,9,12-17H2,1H3,(H,25,31)(H,32,33)