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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNC(=O)CC2=C(NC3=CC=CC=C32)C(=O)O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCCNC(=O)CC2=C(NC3=CC=CC=C32)C(=O)O)C4=NC=CC=N4

InChI

InChI=1S/C23H28N6O3/c30-20(16-18-17-6-1-2-7-19(17)27-21(18)22(31)32)24-8-3-4-11-28-12-14-29(15-13-28)23-25-9-5-10-26-23/h1-2,5-7,9-10,27H,3-4,8,11-16H2,(H,24,30)(H,31,32)