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

Systemtic Name: 2-[2-(chloromethyl)phenyl]carbonyl-6,7-dimethoxy-1H-isoquinoline-1-carbonitrile Openeye Name: 2-[2-(chloromethyl)benzoyl]-6,7-dimethoxy-1H-isoquinoline-1-carbonitrile CAS Name: 2-[[2-(chloromethyl)phenyl]-oxomethyl]-6,7-dimethoxy-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-[2-(chloromethyl)benzoyl]-6,7-dimethoxy-1H-isoquinoline-1-carbonitrile Traditional Name: 2-[2-(chloromethyl)benzoyl]-6,7-dimethoxy-1H-isoquinoline-1-carbonitrile Formula: C20H17ClN2O3 MolecularWeight: 368.81358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O3/c1-25-18-9-13-7-8-23(17(12-22)16(13)10-19(18)26-2)20(24)15-6-4-3-5-14(15)11-21/h3-10,17H,11H2,1-2H3