2-(6-oxidanylidene-3-pyridin-4-yl-1H-pyridazin-5-yl)-6-(1-piperidin-2-ylethyl)indole-1-carboxylic acid

Systemtic Name: 2-(6-oxidanylidene-3-pyridin-4-yl-1H-pyridazin-5-yl)-6-(1-piperidin-2-ylethyl)indole-1-carboxylic acid Openeye Name: 2-[6-oxo-3-(4-pyridyl)-1H-pyridazin-5-yl]-6-[1-(2-piperidyl)ethyl]indole-1-carboxylic acid CAS Name: 2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-6-[1-(2-piperidinyl)ethyl]-1-indolecarboxylic acid IUPAC Name: 2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-6-(1-piperidin-2-ylethyl)indole-1-carboxylic acid Traditional Name: 2-[6-keto-3-(4-pyridyl)-1H-pyridazin-5-yl]-6-[1-(2-piperidyl)ethyl]indole-1-carboxylic acid Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCN1)C2=CC3=C(C=C2)C=C(N3C(=O)O)C4=CC(=NNC4=O)C5=CC=NC=C5

Isomeric SMILES

CC(C1CCCCN1)C2=CC3=C(C=C2)C=C(N3C(=O)O)C4=CC(=NNC4=O)C5=CC=NC=C5

InChI

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