2-[3-(3-acetamido-4-methyl-phenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(2-bromophenyl)ethanamide

Systemtic Name: 2-[3-(3-acetamido-4-methyl-phenyl)-6-oxidanylidene-pyridazin-1-yl]-N-(2-bromophenyl)ethanamide Openeye Name: 2-[3-(3-acetamido-4-methyl-phenyl)-6-oxo-pyridazin-1-yl]-N-(2-bromophenyl)acetamide CAS Name: 2-[3-(3-acetamido-4-methylphenyl)-6-oxo-1-pyridazinyl]-N-(2-bromophenyl)acetamide IUPAC Name: 2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-bromophenyl)acetamide Traditional Name: 2-[3-(3-acetamido-4-methyl-phenyl)-6-keto-pyridazin-1-yl]-N-(2-bromophenyl)acetamide Formula: C21H19BrN4O3 MolecularWeight: 455.30456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC=CC=C3Br)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC=CC=C3Br)NC(=O)C

InChI

InChI=1S/C21H19BrN4O3/c1-13-7-8-15(11-19(13)23-14(2)27)17-9-10-21(29)26(25-17)12-20(28)24-18-6-4-3-5-16(18)22/h3-11H,12H2,1-2H3,(H,23,27)(H,24,28)