1,3-bis(chloranyl)-6-methoxy-5-(5-phenylpent-1-ynyl)-5-(pyridin-4-ylmethyl)phthalazine

Systemtic Name: 1,3-bis(chloranyl)-6-methoxy-5-(5-phenylpent-1-ynyl)-5-(pyridin-4-ylmethyl)phthalazine Openeye Name: 1,3-dichloro-6-methoxy-5-(5-phenylpent-1-ynyl)-5-(4-pyridylmethyl)phthalazine CAS Name: 1,3-dichloro-6-methoxy-5-(5-phenylpent-1-ynyl)-5-(pyridin-4-ylmethyl)phthalazine IUPAC Name: 1,3-dichloro-6-methoxy-5-(5-phenylpent-1-ynyl)-5-(pyridin-4-ylmethyl)phthalazine Traditional Name: 1,3-dichloro-6-methoxy-5-(5-phenylpent-1-ynyl)-5-(4-pyridylmethyl)phthalazine Formula: C26H23Cl2N3O MolecularWeight: 464.38632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C2C(=CN(N=C2Cl)Cl)C1(CC3=CC=NC=C3)C#CCCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C2C(=CN(N=C2Cl)Cl)C1(CC3=CC=NC=C3)C#CCCCC4=CC=CC=C4

InChI

InChI=1S/C26H23Cl2N3O/c1-32-24-12-11-22-23(19-31(28)30-25(22)27)26(24,18-21-13-16-29-17-14-21)15-7-3-6-10-20-8-4-2-5-9-20/h2,4-5,8-9,11-14,16-17,19H,3,6,10,18H2,1H3