4-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-7-methoxy-2-methylsulfonyl-1-phenyl-1H-phthalazine

Systemtic Name: 4-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-7-methoxy-2-methylsulfonyl-1-phenyl-1H-phthalazine Openeye Name: 4-[(3,5-dichloro-4-pyridyl)methyl]-7-methoxy-2-methylsulfonyl-1-phenyl-1H-phthalazine CAS Name: 4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-2-methylsulfonyl-1-phenyl-1H-phthalazine IUPAC Name: 4-[(3,5-dichloropyridin-4-yl)methyl]-7-methoxy-2-methylsulfonyl-1-phenyl-1H-phthalazine Traditional Name: 4-[(3,5-dichloro-4-pyridyl)methyl]-2-mesyl-7-methoxy-1-phenyl-1H-phthalazine Formula: C22H19Cl2N3O3S MolecularWeight: 476.37556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NN(C2C3=CC=CC=C3)S(=O)(=O)C)CC4=C(C=NC=C4Cl)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NN(C2C3=CC=CC=C3)S(=O)(=O)C)CC4=C(C=NC=C4Cl)Cl

InChI

InChI=1S/C22H19Cl2N3O3S/c1-30-15-8-9-16-17(10-15)22(14-6-4-3-5-7-14)27(31(2,28)29)26-21(16)11-18-19(23)12-25-13-20(18)24/h3-10,12-13,22H,11H2,1-2H3