4-[(4-bromanyl-2-chloranyl-phenyl)amino]-1,5-dimethyl-6-oxidanylidene-N-[(2S)-2-oxidanylpropoxy]pyridazine-3-carboxamide

Systemtic Name: 4-[(4-bromanyl-2-chloranyl-phenyl)amino]-1,5-dimethyl-6-oxidanylidene-N-[(2S)-2-oxidanylpropoxy]pyridazine-3-carboxamide Openeye Name: 4-(4-bromo-2-chloro-anilino)-N-[(2S)-2-hydroxypropoxy]-1,5-dimethyl-6-oxo-pyridazine-3-carboxamide CAS Name: 4-(4-bromo-2-chloroanilino)-N-[(2S)-2-hydroxypropoxy]-1,5-dimethyl-6-oxo-3-pyridazinecarboxamide IUPAC Name: 4-(4-bromo-2-chloroanilino)-N-[(2S)-2-hydroxypropoxy]-1,5-dimethyl-6-oxopyridazine-3-carboxamide Traditional Name: 4-(4-bromo-2-chloro-anilino)-N-[(2S)-2-hydroxypropoxy]-6-keto-1,5-dimethyl-pyridazine-3-carboxamide Formula: C16H18BrClN4O4 MolecularWeight: 445.69552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN(C1=O)C)C(=O)NOCC(C)O)NC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CC1=C(C(=NN(C1=O)C)C(=O)NOC[C@H](C)O)NC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C16H18BrClN4O4/c1-8(23)7-26-21-15(24)14-13(9(2)16(25)22(3)20-14)19-12-5-4-10(17)6-11(12)18/h4-6,8,19,23H,7H2,1-3H3,(H,21,24)/t8-/m0/s1