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

Systemtic Name: 3-[2-oxidanylidene-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]ethyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[2-oxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]ethyl]-1H-indole-2-carboxylic acid CAS Name: 3-[2-oxo-2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propylamino]ethyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[2-oxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylamino]ethyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[2-keto-2-[3-[4-(2-pyrimidyl)piperazino]propylamino]ethyl]-1H-indole-2-carboxylic acid Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)CC2=C(NC3=CC=CC=C32)C(=O)O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCNC(=O)CC2=C(NC3=CC=CC=C32)C(=O)O)C4=NC=CC=N4

InChI

InChI=1S/C22H26N6O3/c29-19(15-17-16-5-1-2-6-18(16)26-20(17)21(30)31)23-9-4-10-27-11-13-28(14-12-27)22-24-7-3-8-25-22/h1-3,5-8,26H,4,9-15H2,(H,23,29)(H,30,31)