4-[(3-chloranyl-4-methoxy-phenyl)methyl]-1-pyridin-2-yl-phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methyl]-1-pyridin-2-yl-phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methyl]-1-(2-pyridyl)phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-pyridinyl)-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methyl]-1-pyridin-2-ylphthalazine-6-carbonitrile Traditional Name: 4-(3-chloro-4-methoxy-benzyl)-1-(2-pyridyl)phthalazine-6-carbonitrile Formula: C22H15ClN4O MolecularWeight: 386.8337

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NN=C(C3=C2C=C(C=C3)C#N)C4=CC=CC=N4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NN=C(C3=C2C=C(C=C3)C#N)C4=CC=CC=N4)Cl

InChI

InChI=1S/C22H15ClN4O/c1-28-21-8-6-14(11-18(21)23)12-20-17-10-15(13-24)5-7-16(17)22(27-26-20)19-4-2-3-9-25-19/h2-11H,12H2,1H3