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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methyl]-1-pyridin-4-yl-phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methyl]-1-(4-pyridyl)phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methyl]-1-pyridin-4-yl-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methyl]-1-pyridin-4-ylphthalazine-6-carbonitrile Traditional Name: 4-(3-chloro-4-methoxy-benzyl)-1-(4-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=NC=C4)Cl

Isomeric SMILES

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

InChI

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