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

Systemtic Name: 1-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-6-methoxy-5-(5-phenylpent-1-ynyl)phthalazine Openeye Name: 1-[(3,5-dichloro-4-pyridyl)methyl]-6-methoxy-5-(5-phenylpent-1-ynyl)phthalazine CAS Name: 1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-5-(5-phenylpent-1-ynyl)phthalazine IUPAC Name: 1-[(3,5-dichloropyridin-4-yl)methyl]-6-methoxy-5-(5-phenylpent-1-ynyl)phthalazine Traditional Name: 1-[(3,5-dichloro-4-pyridyl)methyl]-6-methoxy-5-(5-phenylpent-1-ynyl)phthalazine Formula: C26H21Cl2N3O MolecularWeight: 462.37044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CN=NC(=C2C=C1)CC3=C(C=NC=C3Cl)Cl)C#CCCCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C2=CN=NC(=C2C=C1)CC3=C(C=NC=C3Cl)Cl)C#CCCCC4=CC=CC=C4

InChI

InChI=1S/C26H21Cl2N3O/c1-32-26-13-12-19-22(20(26)11-7-3-6-10-18-8-4-2-5-9-18)15-30-31-25(19)14-21-23(27)16-29-17-24(21)28/h2,4-5,8-9,12-13,15-17H,3,6,10,14H2,1H3