2-(2-methylphenyl)carbonyl-1-(1-phenylpropyl)isoquinoline-1-carbonitrile

Systemtic Name: 2-(2-methylphenyl)carbonyl-1-(1-phenylpropyl)isoquinoline-1-carbonitrile Openeye Name: 2-(2-methylbenzoyl)-1-(1-phenylpropyl)isoquinoline-1-carbonitrile CAS Name: 2-[(2-methylphenyl)-oxomethyl]-1-(1-phenylpropyl)-1-isoquinolinecarbonitrile IUPAC Name: 2-(2-methylbenzoyl)-1-(1-phenylpropyl)isoquinoline-1-carbonitrile Traditional Name: 2-o-toluoyl-1-(1-phenylpropyl)isoquinoline-1-carbonitrile Formula: C27H24N2O MolecularWeight: 392.49226

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C2(C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4C)C#N

Isomeric SMILES

CCC(C1=CC=CC=C1)C2(C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4C)C#N

InChI

InChI=1S/C27H24N2O/c1-3-24(21-12-5-4-6-13-21)27(19-28)25-16-10-8-14-22(25)17-18-29(27)26(30)23-15-9-7-11-20(23)2/h4-18,24H,3H2,1-2H3