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

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

Isomeric SMILES

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

InChI

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