1-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-6-methoxy-5-(oxan-2-ylmethoxy)phthalazine

Systemtic Name: 1-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-6-methoxy-5-(oxan-2-ylmethoxy)phthalazine Openeye Name: 1-[(3,5-dichloro-4-pyridyl)methyl]-6-methoxy-5-(tetrahydropyran-2-ylmethoxy)phthalazine CAS Name: 1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-5-(2-oxanylmethoxy)phthalazine IUPAC Name: 1-[(3,5-dichloropyridin-4-yl)methyl]-6-methoxy-5-(oxan-2-ylmethoxy)phthalazine Traditional Name: 1-[(3,5-dichloro-4-pyridyl)methyl]-6-methoxy-5-(tetrahydropyran-2-ylmethoxy)phthalazine Formula: C21H21Cl2N3O3 MolecularWeight: 434.31574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CN=NC(=C2C=C1)CC3=C(C=NC=C3Cl)Cl)OCC4CCCCO4

Isomeric SMILES

COC1=C(C2=CN=NC(=C2C=C1)CC3=C(C=NC=C3Cl)Cl)OCC4CCCCO4

InChI

InChI=1S/C21H21Cl2N3O3/c1-27-20-6-5-14-16(21(20)29-12-13-4-2-3-7-28-13)9-25-26-19(14)8-15-17(22)10-24-11-18(15)23/h5-6,9-11,13H,2-4,7-8,12H2,1H3