N-[2-(4-bromophenyl)-4-(3-methoxyphenyl)-6-methyl-5-oxidanylidene-pyridazin-3-yl]butanamide

Systemtic Name: N-[2-(4-bromophenyl)-4-(3-methoxyphenyl)-6-methyl-5-oxidanylidene-pyridazin-3-yl]butanamide Openeye Name: N-[2-(4-bromophenyl)-4-(3-methoxyphenyl)-6-methyl-5-oxo-pyridazin-3-yl]butanamide CAS Name: N-[2-(4-bromophenyl)-4-(3-methoxyphenyl)-6-methyl-5-oxo-3-pyridazinyl]butanamide IUPAC Name: N-[2-(4-bromophenyl)-4-(3-methoxyphenyl)-6-methyl-5-oxopyridazin-3-yl]butanamide Traditional Name: N-[2-(4-bromophenyl)-5-keto-4-(3-methoxyphenyl)-6-methyl-pyridazin-3-yl]butyramide Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C(=O)C(=NN1C2=CC=C(C=C2)Br)C)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCC(=O)NC1=C(C(=O)C(=NN1C2=CC=C(C=C2)Br)C)C3=CC(=CC=C3)OC

InChI

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