2-(3-methoxy-6-pyridin-4-yl-pyridazin-4-yl)-6-(2-oxidanylideneethyl)indole-1-carboxylic acid

Systemtic Name: 2-(3-methoxy-6-pyridin-4-yl-pyridazin-4-yl)-6-(2-oxidanylideneethyl)indole-1-carboxylic acid Openeye Name: 2-[3-methoxy-6-(4-pyridyl)pyridazin-4-yl]-6-(2-oxoethyl)indole-1-carboxylic acid CAS Name: 2-(3-methoxy-6-pyridin-4-yl-4-pyridazinyl)-6-(2-oxoethyl)-1-indolecarboxylic acid IUPAC Name: 2-(3-methoxy-6-pyridin-4-ylpyridazin-4-yl)-6-(2-oxoethyl)indole-1-carboxylic acid Traditional Name: 6-(2-ketoethyl)-2-[3-methoxy-6-(4-pyridyl)pyridazin-4-yl]indole-1-carboxylic acid Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1C2=CC3=C(N2C(=O)O)C=C(C=C3)CC=O)C4=CC=NC=C4

Isomeric SMILES

COC1=NN=C(C=C1C2=CC3=C(N2C(=O)O)C=C(C=C3)CC=O)C4=CC=NC=C4

InChI

InChI=1S/C21H16N4O4/c1-29-20-16(12-17(23-24-20)14-4-7-22-8-5-14)19-11-15-3-2-13(6-9-26)10-18(15)25(19)21(27)28/h2-5,7-12H,6H2,1H3,(H,27,28)