2-[2-(chloromethyl)phenyl]carbonyl-6,7-dimethoxy-1H-phthalazine-1-carbonitrile

Systemtic Name: 2-[2-(chloromethyl)phenyl]carbonyl-6,7-dimethoxy-1H-phthalazine-1-carbonitrile Openeye Name: 2-[2-(chloromethyl)benzoyl]-6,7-dimethoxy-1H-phthalazine-1-carbonitrile CAS Name: 2-[[2-(chloromethyl)phenyl]-oxomethyl]-6,7-dimethoxy-1H-phthalazine-1-carbonitrile IUPAC Name: 2-[2-(chloromethyl)benzoyl]-6,7-dimethoxy-1H-phthalazine-1-carbonitrile Traditional Name: 2-[2-(chloromethyl)benzoyl]-6,7-dimethoxy-1H-phthalazine-1-carbonitrile Formula: C19H16ClN3O3 MolecularWeight: 369.80164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(N=CC2=C1)C(=O)C3=CC=CC=C3CCl)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(N(N=CC2=C1)C(=O)C3=CC=CC=C3CCl)C#N)OC

InChI

InChI=1S/C19H16ClN3O3/c1-25-17-7-13-11-22-23(16(10-21)15(13)8-18(17)26-2)19(24)14-6-4-3-5-12(14)9-20/h3-8,11,16H,9H2,1-2H3