4-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-7-methoxy-2-(phenylmethyl)phthalazin-1-one

Systemtic Name: 4-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-7-methoxy-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[(3,5-dichloro-4-pyridyl)methyl]-7-methoxy-phthalazin-1-one CAS Name: 4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[(3,5-dichloropyridin-4-yl)methyl]-7-methoxyphthalazin-1-one Traditional Name: 2-benzyl-4-[(3,5-dichloro-4-pyridyl)methyl]-7-methoxy-phthalazin-1-one Formula: C22H17Cl2N3O2 MolecularWeight: 426.29528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NN(C2=O)CC3=CC=CC=C3)CC4=C(C=NC=C4Cl)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NN(C2=O)CC3=CC=CC=C3)CC4=C(C=NC=C4Cl)Cl

InChI

InChI=1S/C22H17Cl2N3O2/c1-29-15-7-8-16-17(9-15)22(28)27(13-14-5-3-2-4-6-14)26-21(16)10-18-19(23)11-25-12-20(18)24/h2-9,11-12H,10,13H2,1H3