N-[1-(3-bromanyl-4-methoxy-phenyl)ethyl]-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide

Systemtic Name: N-[1-(3-bromanyl-4-methoxy-phenyl)ethyl]-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide Openeye Name: 1-benzyl-N-[1-(3-bromo-4-methoxy-phenyl)ethyl]-6-oxo-pyridazine-3-carboxamide CAS Name: N-[1-(3-bromo-4-methoxyphenyl)ethyl]-6-oxo-1-(phenylmethyl)-3-pyridazinecarboxamide IUPAC Name: 1-benzyl-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-6-oxopyridazine-3-carboxamide Traditional Name: 1-benzyl-N-[1-(3-bromo-4-methoxy-phenyl)ethyl]-6-keto-pyridazine-3-carboxamide Formula: C21H20BrN3O3 MolecularWeight: 442.3058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)Br)NC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)Br)NC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H20BrN3O3/c1-14(16-8-10-19(28-2)17(22)12-16)23-21(27)18-9-11-20(26)25(24-18)13-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3,(H,23,27)