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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN3O3/c1-15-13-17(23)8-9-19(15)24-21(27)7-4-12-26-22(28)11-10-20(25-26)16-5-3-6-18(14-16)29-2/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,24,27)