2-(3,4-dimethylphenyl)carbonyl-1H-phthalazine-1-carbonitrile

Systemtic Name: 2-(3,4-dimethylphenyl)carbonyl-1H-phthalazine-1-carbonitrile Openeye Name: 2-(3,4-dimethylbenzoyl)-1H-phthalazine-1-carbonitrile CAS Name: 2-[(3,4-dimethylphenyl)-oxomethyl]-1H-phthalazine-1-carbonitrile IUPAC Name: 2-(3,4-dimethylbenzoyl)-1H-phthalazine-1-carbonitrile Traditional Name: 2-(3,4-dimethylbenzoyl)-1H-phthalazine-1-carbonitrile Formula: C18H15N3O MolecularWeight: 289.3312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2C(C3=CC=CC=C3C=N2)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2C(C3=CC=CC=C3C=N2)C#N)C

InChI

InChI=1S/C18H15N3O/c1-12-7-8-14(9-13(12)2)18(22)21-17(10-19)16-6-4-3-5-15(16)11-20-21/h3-9,11,17H,1-2H3