5-bromanyl-3-[3-(4-methoxyphenyl)propoxy]-4-(pyridin-3-ylmethylamino)-1H-pyridazin-6-one

Systemtic Name: 5-bromanyl-3-[3-(4-methoxyphenyl)propoxy]-4-(pyridin-3-ylmethylamino)-1H-pyridazin-6-one Openeye Name: 5-bromo-3-[3-(4-methoxyphenyl)propoxy]-4-(3-pyridylmethylamino)-1H-pyridazin-6-one CAS Name: 5-bromo-3-[3-(4-methoxyphenyl)propoxy]-4-(3-pyridinylmethylamino)-1H-pyridazin-6-one IUPAC Name: 5-bromo-3-[3-(4-methoxyphenyl)propoxy]-4-(pyridin-3-ylmethylamino)-1H-pyridazin-6-one Traditional Name: 5-bromo-3-[3-(4-methoxyphenyl)propoxy]-4-(3-pyridylmethylamino)-1H-pyridazin-6-one Formula: C20H21BrN4O3 MolecularWeight: 445.30974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCOC2=NNC(=O)C(=C2NCC3=CN=CC=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)CCCOC2=NNC(=O)C(=C2NCC3=CN=CC=C3)Br

InChI

InChI=1S/C20H21BrN4O3/c1-27-16-8-6-14(7-9-16)5-3-11-28-20-18(17(21)19(26)24-25-20)23-13-15-4-2-10-22-12-15/h2,4,6-10,12H,3,5,11,13H2,1H3,(H2,23,24,26)