3-[1-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxylic acid

Systemtic Name: 3-[1-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxylic acid Openeye Name: 3-[1-[4-(3-cyano-2-pyridyl)piperazin-1-yl]-2-hydroxy-2-oxo-ethyl]-1-methyl-indole-6-carboxylic acid CAS Name: 3-[1-[4-(3-cyano-2-pyridinyl)-1-piperazinyl]-2-hydroxy-2-oxoethyl]-1-methyl-6-indolecarboxylic acid IUPAC Name: 3-[1-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]-2-hydroxy-2-oxoethyl]-1-methylindole-6-carboxylic acid Traditional Name: 3-[1-[4-(3-cyano-2-pyridyl)piperazino]-2-hydroxy-2-keto-ethyl]-1-methyl-indole-6-carboxylic acid Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=C(C=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)C4=C(C=CC=N4)C#N

Isomeric SMILES

CN1C=C(C2=C1C=C(C=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)C4=C(C=CC=N4)C#N

InChI

InChI=1S/C22H21N5O4/c1-25-13-17(16-5-4-14(21(28)29)11-18(16)25)19(22(30)31)26-7-9-27(10-8-26)20-15(12-23)3-2-6-24-20/h2-6,11,13,19H,7-10H2,1H3,(H,28,29)(H,30,31)