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

Systemtic Name: 1-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-6-methoxy-4-(4-phenylbutyl)phthalazine Openeye Name: 1-[(3,5-dichloro-4-pyridyl)methyl]-6-methoxy-4-(4-phenylbutyl)phthalazine CAS Name: 1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-4-(4-phenylbutyl)phthalazine IUPAC Name: 1-[(3,5-dichloropyridin-4-yl)methyl]-6-methoxy-4-(4-phenylbutyl)phthalazine Traditional Name: 1-[(3,5-dichloro-4-pyridyl)methyl]-6-methoxy-4-(4-phenylbutyl)phthalazine Formula: C25H23Cl2N3O MolecularWeight: 452.37562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NN=C2CCCCC3=CC=CC=C3)CC4=C(C=NC=C4Cl)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NN=C2CCCCC3=CC=CC=C3)CC4=C(C=NC=C4Cl)Cl

InChI

InChI=1S/C25H23Cl2N3O/c1-31-18-11-12-19-20(13-18)24(10-6-5-9-17-7-3-2-4-8-17)29-30-25(19)14-21-22(26)15-28-16-23(21)27/h2-4,7-8,11-13,15-16H,5-6,9-10,14H2,1H3