4-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-8-cyclopentyloxy-7-methoxy-2-methylsulfonyl-1H-phthalazine

Systemtic Name: 4-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-8-cyclopentyloxy-7-methoxy-2-methylsulfonyl-1H-phthalazine Openeye Name: 8-(cyclopentoxy)-4-[(3,5-dichloro-4-pyridyl)methyl]-7-methoxy-2-methylsulfonyl-1H-phthalazine CAS Name: 8-cyclopentyloxy-4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-2-methylsulfonyl-1H-phthalazine IUPAC Name: 8-cyclopentyloxy-4-[(3,5-dichloropyridin-4-yl)methyl]-7-methoxy-2-methylsulfonyl-1H-phthalazine Traditional Name: 8-(cyclopentoxy)-4-[(3,5-dichloro-4-pyridyl)methyl]-2-mesyl-7-methoxy-1H-phthalazine Formula: C21H23Cl2N3O4S MolecularWeight: 484.39602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=NN(C2)S(=O)(=O)C)CC3=C(C=NC=C3Cl)Cl)OC4CCCC4

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=NN(C2)S(=O)(=O)C)CC3=C(C=NC=C3Cl)Cl)OC4CCCC4

InChI

InChI=1S/C21H23Cl2N3O4S/c1-29-20-8-7-14-16(21(20)30-13-5-3-4-6-13)12-26(31(2,27)28)25-19(14)9-15-17(22)10-24-11-18(15)23/h7-8,10-11,13H,3-6,9,12H2,1-2H3