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

Systemtic Name: 4-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-7-methoxy-2-(5-phenylpentyl)phthalazin-1-one Openeye Name: 4-[(3,5-dichloro-4-pyridyl)methyl]-7-methoxy-2-(5-phenylpentyl)phthalazin-1-one CAS Name: 4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-2-(5-phenylpentyl)-1-phthalazinone IUPAC Name: 4-[(3,5-dichloropyridin-4-yl)methyl]-7-methoxy-2-(5-phenylpentyl)phthalazin-1-one Traditional Name: 4-[(3,5-dichloro-4-pyridyl)methyl]-7-methoxy-2-(5-phenylpentyl)phthalazin-1-one Formula: C26H25Cl2N3O2 MolecularWeight: 482.4016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NN(C2=O)CCCCCC3=CC=CC=C3)CC4=C(C=NC=C4Cl)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NN(C2=O)CCCCCC3=CC=CC=C3)CC4=C(C=NC=C4Cl)Cl

InChI

InChI=1S/C26H25Cl2N3O2/c1-33-19-11-12-20-21(14-19)26(32)31(13-7-3-6-10-18-8-4-2-5-9-18)30-25(20)15-22-23(27)16-29-17-24(22)28/h2,4-5,8-9,11-12,14,16-17H,3,6-7,10,13,15H2,1H3