1-[(2-methylphenyl)methyl]-2-(phenylcarbonyl)isoquinoline-1-carbonitrile

Systemtic Name: 1-[(2-methylphenyl)methyl]-2-(phenylcarbonyl)isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-1-(o-tolylmethyl)isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-1-[(2-methylphenyl)methyl]-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-1-[(2-methylphenyl)methyl]isoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-1-(2-methylbenzyl)isoquinoline-1-carbonitrile Formula: C25H20N2O MolecularWeight: 364.4391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2(C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=CC=C1CC2(C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H20N2O/c1-19-9-5-6-13-22(19)17-25(18-26)23-14-8-7-10-20(23)15-16-27(25)24(28)21-11-3-2-4-12-21/h2-16H,17H2,1H3