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

Systemtic Name: 2-[2-(chloromethyl)phenyl]carbonyl-1H-phthalazine-1-carbonitrile Openeye Name: 2-[2-(chloromethyl)benzoyl]-1H-phthalazine-1-carbonitrile CAS Name: 2-[[2-(chloromethyl)phenyl]-oxomethyl]-1H-phthalazine-1-carbonitrile IUPAC Name: 2-[2-(chloromethyl)benzoyl]-1H-phthalazine-1-carbonitrile Traditional Name: 2-[2-(chloromethyl)benzoyl]-1H-phthalazine-1-carbonitrile Formula: C17H12ClN3O MolecularWeight: 309.74968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClN3O/c18-9-12-5-1-4-8-15(12)17(22)21-16(10-19)14-7-3-2-6-13(14)11-20-21/h1-8,11,16H,9H2