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

Systemtic Name: 4-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-1-pyridin-2-yl-phthalazine-6-carbonitrile Openeye Name: 4-[2-(3-chloro-4-methoxy-phenyl)ethyl]-1-(2-pyridyl)phthalazine-6-carbonitrile CAS Name: 4-[2-(3-chloro-4-methoxyphenyl)ethyl]-1-(2-pyridinyl)-6-phthalazinecarbonitrile IUPAC Name: 4-[2-(3-chloro-4-methoxyphenyl)ethyl]-1-pyridin-2-ylphthalazine-6-carbonitrile Traditional Name: 4-[2-(3-chloro-4-methoxy-phenyl)ethyl]-1-(2-pyridyl)phthalazine-6-carbonitrile Formula: C23H17ClN4O MolecularWeight: 400.86028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC2=NN=C(C3=C2C=C(C=C3)C#N)C4=CC=CC=N4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CCC2=NN=C(C3=C2C=C(C=C3)C#N)C4=CC=CC=N4)Cl

InChI

InChI=1S/C23H17ClN4O/c1-29-22-10-7-15(13-19(22)24)6-9-20-18-12-16(14-25)5-8-17(18)23(28-27-20)21-4-2-3-11-26-21/h2-5,7-8,10-13H,6,9H2,1H3