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

Systemtic Name: 4-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-1-pyridin-3-yl-phthalazine-6-carbonitrile Openeye Name: 4-[2-(3-chloro-4-methoxy-phenyl)ethyl]-1-(3-pyridyl)phthalazine-6-carbonitrile CAS Name: 4-[2-(3-chloro-4-methoxyphenyl)ethyl]-1-(3-pyridinyl)-6-phthalazinecarbonitrile IUPAC Name: 4-[2-(3-chloro-4-methoxyphenyl)ethyl]-1-pyridin-3-ylphthalazine-6-carbonitrile Traditional Name: 4-[2-(3-chloro-4-methoxy-phenyl)ethyl]-1-(3-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=CN=CC=C4)Cl

Isomeric SMILES

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

InChI

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