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

Systemtic Name: 2-(3-methoxy-6-pyridin-4-yl-pyridazin-4-yl)-6-(piperidin-1-ylmethyl)indole-1-carboxylic acid Openeye Name: 2-[3-methoxy-6-(4-pyridyl)pyridazin-4-yl]-6-(1-piperidylmethyl)indole-1-carboxylic acid CAS Name: 2-(3-methoxy-6-pyridin-4-yl-4-pyridazinyl)-6-(1-piperidinylmethyl)-1-indolecarboxylic acid IUPAC Name: 2-(3-methoxy-6-pyridin-4-ylpyridazin-4-yl)-6-(piperidin-1-ylmethyl)indole-1-carboxylic acid Traditional Name: 2-[3-methoxy-6-(4-pyridyl)pyridazin-4-yl]-6-(piperidinomethyl)indole-1-carboxylic acid Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1C2=CC3=C(N2C(=O)O)C=C(C=C3)CN4CCCCC4)C5=CC=NC=C5

Isomeric SMILES

COC1=NN=C(C=C1C2=CC3=C(N2C(=O)O)C=C(C=C3)CN4CCCCC4)C5=CC=NC=C5

InChI

InChI=1S/C25H25N5O3/c1-33-24-20(15-21(27-28-24)18-7-9-26-10-8-18)23-14-19-6-5-17(13-22(19)30(23)25(31)32)16-29-11-3-2-4-12-29/h5-10,13-15H,2-4,11-12,16H2,1H3,(H,31,32)