N-[(4-iodophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide

Systemtic Name: N-[(4-iodophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide Openeye Name: N-[(4-iodophenyl)methyl]-4-[6-oxo-3-(p-tolyl)pyridazin-1-yl]butanamide CAS Name: N-[(4-iodophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]butanamide IUPAC Name: N-[(4-iodophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide Traditional Name: N-(4-iodobenzyl)-4-[6-keto-3-(p-tolyl)pyridazin-1-yl]butyramide Formula: C22H22IN3O2 MolecularWeight: 487.33345

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NCC3=CC=C(C=C3)I

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NCC3=CC=C(C=C3)I

InChI

InChI=1S/C22H22IN3O2/c1-16-4-8-18(9-5-16)20-12-13-22(28)26(25-20)14-2-3-21(27)24-15-17-6-10-19(23)11-7-17/h4-13H,2-3,14-15H2,1H3,(H,24,27)