5-[3,5-bis(chloranyl)pyridin-4-yl]-1-(7-methoxyphthalazin-1-yl)-2-methyl-pent-3-yn-2-ol

Systemtic Name: 5-[3,5-bis(chloranyl)pyridin-4-yl]-1-(7-methoxyphthalazin-1-yl)-2-methyl-pent-3-yn-2-ol Openeye Name: 5-(3,5-dichloro-4-pyridyl)-1-(7-methoxyphthalazin-1-yl)-2-methyl-pent-3-yn-2-ol CAS Name: 5-(3,5-dichloro-4-pyridinyl)-1-(7-methoxy-1-phthalazinyl)-2-methyl-3-pentyn-2-ol IUPAC Name: 5-(3,5-dichloropyridin-4-yl)-1-(7-methoxyphthalazin-1-yl)-2-methylpent-3-yn-2-ol Traditional Name: 5-(3,5-dichloro-4-pyridyl)-1-(7-methoxyphthalazin-1-yl)-2-methyl-pent-3-yn-2-ol Formula: C20H17Cl2N3O2 MolecularWeight: 402.27388

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C2C=C(C=CC2=CN=N1)OC)(C#CCC3=C(C=NC=C3Cl)Cl)O

Isomeric SMILES

CC(CC1=C2C=C(C=CC2=CN=N1)OC)(C#CCC3=C(C=NC=C3Cl)Cl)O

InChI

InChI=1S/C20H17Cl2N3O2/c1-20(26,7-3-4-15-17(21)11-23-12-18(15)22)9-19-16-8-14(27-2)6-5-13(16)10-24-25-19/h5-6,8,10-12,26H,4,9H2,1-2H3