2-[2-(chloromethyl)phenyl]carbonyl-1H-isoquinoline-1-carbonitrile

Systemtic Name: 2-[2-(chloromethyl)phenyl]carbonyl-1H-isoquinoline-1-carbonitrile Openeye Name: 2-[2-(chloromethyl)benzoyl]-1H-isoquinoline-1-carbonitrile CAS Name: 2-[[2-(chloromethyl)phenyl]-oxomethyl]-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-[2-(chloromethyl)benzoyl]-1H-isoquinoline-1-carbonitrile Traditional Name: 2-[2-(chloromethyl)benzoyl]-1H-isoquinoline-1-carbonitrile Formula: C18H13ClN2O MolecularWeight: 308.76162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN2O/c19-11-14-6-2-4-8-16(14)18(22)21-10-9-13-5-1-3-7-15(13)17(21)12-20/h1-10,17H,11H2