N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide Openeye Name: 1-benzyl-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-6-oxo-pyridazine-3-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-oxo-1-(phenylmethyl)-3-pyridazinecarboxamide IUPAC Name: 1-benzyl-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide Traditional Name: 1-benzyl-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-6-keto-pyridazine-3-carboxamide Formula: C21H19BrN4O3 MolecularWeight: 455.30456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=NN(C(=O)C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H19BrN4O3/c1-14-11-16(22)7-8-17(14)24-19(27)12-23-21(29)18-9-10-20(28)26(25-18)13-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H,23,29)(H,24,27)