4-[3-(3-methoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(4-phenoxyphenyl)butanamide

Systemtic Name: 4-[3-(3-methoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(4-phenoxyphenyl)butanamide Openeye Name: 4-[3-(3-methoxyphenyl)-6-oxo-pyridazin-1-yl]-N-(4-phenoxyphenyl)butanamide CAS Name: 4-[3-(3-methoxyphenyl)-6-oxo-1-pyridazinyl]-N-(4-phenoxyphenyl)butanamide IUPAC Name: 4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)butanamide Traditional Name: 4-[6-keto-3-(3-methoxyphenyl)pyridazin-1-yl]-N-(4-phenoxyphenyl)butyramide Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O4/c1-33-24-10-5-7-20(19-24)25-16-17-27(32)30(29-25)18-6-11-26(31)28-21-12-14-23(15-13-21)34-22-8-3-2-4-9-22/h2-5,7-10,12-17,19H,6,11,18H2,1H3,(H,28,31)