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

Systemtic Name: 3-[2-oxidanylidene-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]ethyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[2-oxo-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]ethyl]-1H-indole-2-carboxylic acid CAS Name: 3-[2-oxo-2-[2-[4-(2-pyrimidinyl)-1-piperazinyl]ethylamino]ethyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[2-oxo-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]ethyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[2-keto-2-[2-[4-(2-pyrimidyl)piperazino]ethylamino]ethyl]-1H-indole-2-carboxylic acid Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)CC2=C(NC3=CC=CC=C32)C(=O)O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCNC(=O)CC2=C(NC3=CC=CC=C32)C(=O)O)C4=NC=CC=N4

InChI

InChI=1S/C21H24N6O3/c28-18(14-16-15-4-1-2-5-17(15)25-19(16)20(29)30)22-8-9-26-10-12-27(13-11-26)21-23-6-3-7-24-21/h1-7,25H,8-14H2,(H,22,28)(H,29,30)