1-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-6-methoxy-4-(2-phenylethynyl)phthalazine

Systemtic Name: 1-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-6-methoxy-4-(2-phenylethynyl)phthalazine Openeye Name: 1-[(3,5-dichloro-4-pyridyl)methyl]-6-methoxy-4-(2-phenylethynyl)phthalazine CAS Name: 1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-4-(2-phenylethynyl)phthalazine IUPAC Name: 1-[(3,5-dichloropyridin-4-yl)methyl]-6-methoxy-4-(2-phenylethynyl)phthalazine Traditional Name: 1-[(3,5-dichloro-4-pyridyl)methyl]-6-methoxy-4-(2-phenylethynyl)phthalazine Formula: C23H15Cl2N3O MolecularWeight: 420.2907

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(N=NC(=C2C=C1)CC3=C(C=NC=C3Cl)Cl)C#CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(N=NC(=C2C=C1)CC3=C(C=NC=C3Cl)Cl)C#CC4=CC=CC=C4

InChI

InChI=1S/C23H15Cl2N3O/c1-29-16-8-9-17-18(11-16)22(10-7-15-5-3-2-4-6-15)27-28-23(17)12-19-20(24)13-26-14-21(19)25/h2-6,8-9,11,13-14H,12H2,1H3