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

Systemtic Name: 1-[[3,5-bis(chloranyl)pyridin-4-yl]methyl]-6-methoxy-5-(5-phenylpentoxy)phthalazine Openeye Name: 1-[(3,5-dichloro-4-pyridyl)methyl]-6-methoxy-5-(5-phenylpentoxy)phthalazine CAS Name: 1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-5-(5-phenylpentoxy)phthalazine IUPAC Name: 1-[(3,5-dichloropyridin-4-yl)methyl]-6-methoxy-5-(5-phenylpentoxy)phthalazine Traditional Name: 1-[(3,5-dichloro-4-pyridyl)methyl]-6-methoxy-5-(5-phenylpentoxy)phthalazine Formula: C26H25Cl2N3O2 MolecularWeight: 482.4016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CN=NC(=C2C=C1)CC3=C(C=NC=C3Cl)Cl)OCCCCCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C2=CN=NC(=C2C=C1)CC3=C(C=NC=C3Cl)Cl)OCCCCCC4=CC=CC=C4

InChI

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