1-[6-[2-(3-methoxyphenyl)carbonylimidazol-1-yl]pyridazin-3-yl]piperidine-4-carboxylate

Systemtic Name: 1-[6-[2-(3-methoxyphenyl)carbonylimidazol-1-yl]pyridazin-3-yl]piperidine-4-carboxylate Openeye Name: 1-[6-[2-(3-methoxybenzoyl)imidazol-1-yl]pyridazin-3-yl]piperidine-4-carboxylate CAS Name: 1-[6-[2-[(3-methoxyphenyl)-oxomethyl]-1-imidazolyl]-3-pyridazinyl]-4-piperidinecarboxylate IUPAC Name: 1-[6-[2-(3-methoxybenzoyl)imidazol-1-yl]pyridazin-3-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(2-m-anisoylimidazol-1-yl)pyridazin-3-yl]isonipecotate Formula: C21H20N5O4- MolecularWeight: 406.4146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2=NC=CN2C3=NN=C(C=C3)N4CCC(CC4)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C2=NC=CN2C3=NN=C(C=C3)N4CCC(CC4)C(=O)[O-]

InChI

InChI=1S/C21H21N5O4/c1-30-16-4-2-3-15(13-16)19(27)20-22-9-12-26(20)18-6-5-17(23-24-18)25-10-7-14(8-11-25)21(28)29/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,28,29)/p-1