2-(3-methylbutyl)-3-oxidanylidene-5,6-diphenyl-pyridazine-4-carboxylate

Systemtic Name: 2-(3-methylbutyl)-3-oxidanylidene-5,6-diphenyl-pyridazine-4-carboxylate Openeye Name: 2-isopentyl-3-oxo-5,6-diphenyl-pyridazine-4-carboxylate CAS Name: 2-(3-methylbutyl)-3-oxo-5,6-diphenyl-4-pyridazinecarboxylate IUPAC Name: 2-(3-methylbutyl)-3-oxo-5,6-diphenylpyridazine-4-carboxylate Traditional Name: 2-isoamyl-3-keto-5,6-diphenyl-pyridazine-4-carboxylate Formula: C22H21N2O3- MolecularWeight: 361.41374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC(C)CCN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C22H22N2O3/c1-15(2)13-14-24-21(25)19(22(26)27)18(16-9-5-3-6-10-16)20(23-24)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,26,27)/p-1