5-bromanyl-3-[3-(4-chlorophenyl)-3-methyl-butoxy]-4-(pyridin-3-ylmethylamino)-1H-pyridazin-6-one

Systemtic Name: 5-bromanyl-3-[3-(4-chlorophenyl)-3-methyl-butoxy]-4-(pyridin-3-ylmethylamino)-1H-pyridazin-6-one Openeye Name: 5-bromo-3-[3-(4-chlorophenyl)-3-methyl-butoxy]-4-(3-pyridylmethylamino)-1H-pyridazin-6-one CAS Name: 5-bromo-3-[3-(4-chlorophenyl)-3-methylbutoxy]-4-(3-pyridinylmethylamino)-1H-pyridazin-6-one IUPAC Name: 5-bromo-3-[3-(4-chlorophenyl)-3-methylbutoxy]-4-(pyridin-3-ylmethylamino)-1H-pyridazin-6-one Traditional Name: 5-bromo-3-[3-(4-chlorophenyl)-3-methyl-butoxy]-4-(3-pyridylmethylamino)-1H-pyridazin-6-one Formula: C21H22BrClN4O2 MolecularWeight: 477.78198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCOC1=NNC(=O)C(=C1NCC2=CN=CC=C2)Br)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(CCOC1=NNC(=O)C(=C1NCC2=CN=CC=C2)Br)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22BrClN4O2/c1-21(2,15-5-7-16(23)8-6-15)9-11-29-20-18(17(22)19(28)26-27-20)25-13-14-4-3-10-24-12-14/h3-8,10,12H,9,11,13H2,1-2H3,(H2,25,26,28)