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

Systemtic Name: 1-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-6-methoxy-5-(pyridin-4-ylmethyl)phthalazine Openeye Name: 1-[(3,5-dichloro-4-pyridyl)methyl]-6-methoxy-5-(4-pyridylmethyl)phthalazine CAS Name: 1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-5-(pyridin-4-ylmethyl)phthalazine IUPAC Name: 1-[(3,5-dichloropyridin-4-yl)methyl]-6-methoxy-5-(pyridin-4-ylmethyl)phthalazine Traditional Name: 1-[(3,5-dichloro-4-pyridyl)methyl]-6-methoxy-5-(4-pyridylmethyl)phthalazine Formula: C21H16Cl2N4O MolecularWeight: 411.28394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CN=NC(=C2C=C1)CC3=C(C=NC=C3Cl)Cl)CC4=CC=NC=C4

Isomeric SMILES

COC1=C(C2=CN=NC(=C2C=C1)CC3=C(C=NC=C3Cl)Cl)CC4=CC=NC=C4

InChI

InChI=1S/C21H16Cl2N4O/c1-28-21-3-2-14-17(15(21)8-13-4-6-24-7-5-13)10-26-27-20(14)9-16-18(22)11-25-12-19(16)23/h2-7,10-12H,8-9H2,1H3