3-methyl-2-(4-methylphenyl)carbonyl-1H-isoquinoline-1-carbonitrile

Systemtic Name: 3-methyl-2-(4-methylphenyl)carbonyl-1H-isoquinoline-1-carbonitrile Openeye Name: 3-methyl-2-(4-methylbenzoyl)-1H-isoquinoline-1-carbonitrile CAS Name: 3-methyl-2-[(4-methylphenyl)-oxomethyl]-1H-isoquinoline-1-carbonitrile IUPAC Name: 3-methyl-2-(4-methylbenzoyl)-1H-isoquinoline-1-carbonitrile Traditional Name: 3-methyl-2-p-toluoyl-1H-isoquinoline-1-carbonitrile Formula: C19H16N2O MolecularWeight: 288.34314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C(C3=CC=CC=C3C=C2C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2C(C3=CC=CC=C3C=C2C)C#N

InChI

InChI=1S/C19H16N2O/c1-13-7-9-15(10-8-13)19(22)21-14(2)11-16-5-3-4-6-17(16)18(21)12-20/h3-11,18H,1-2H3