N-(4-bromanyl-2-methyl-phenyl)-4-[3-(4-methoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-4-[3-(4-methoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-4-[3-(4-methoxyphenyl)-6-oxo-pyridazin-1-yl]butanamide CAS Name: N-(4-bromo-2-methylphenyl)-4-[3-(4-methoxyphenyl)-6-oxo-1-pyridazinyl]butanamide IUPAC Name: N-(4-bromo-2-methylphenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-4-[6-keto-3-(4-methoxyphenyl)pyridazin-1-yl]butyramide Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H22BrN3O3/c1-15-14-17(23)7-10-19(15)24-21(27)4-3-13-26-22(28)12-11-20(25-26)16-5-8-18(29-2)9-6-16/h5-12,14H,3-4,13H2,1-2H3,(H,24,27)