2-[4-(4-methylphenoxy)butyl]-3-oxidanylidene-5,6-diphenyl-pyridazine-4-carboxylate

Systemtic Name: 2-[4-(4-methylphenoxy)butyl]-3-oxidanylidene-5,6-diphenyl-pyridazine-4-carboxylate Openeye Name: 2-[4-(4-methylphenoxy)butyl]-3-oxo-5,6-diphenyl-pyridazine-4-carboxylate CAS Name: 2-[4-(4-methylphenoxy)butyl]-3-oxo-5,6-diphenyl-4-pyridazinecarboxylate IUPAC Name: 2-[4-(4-methylphenoxy)butyl]-3-oxo-5,6-diphenylpyridazine-4-carboxylate Traditional Name: 3-keto-2-[4-(4-methylphenoxy)butyl]-5,6-diphenyl-pyridazine-4-carboxylate Formula: C28H25N2O4- MolecularWeight: 453.5091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCCN2C(=O)C(=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCCCCN2C(=O)C(=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C28H26N2O4/c1-20-14-16-23(17-15-20)34-19-9-8-18-30-27(31)25(28(32)33)24(21-10-4-2-5-11-21)26(29-30)22-12-6-3-7-13-22/h2-7,10-17H,8-9,18-19H2,1H3,(H,32,33)/p-1