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

Systemtic Name: 2-(2-methylphenyl)carbonyl-1-(1-phenylethyl)isoquinoline-1-carbonitrile Openeye Name: 2-(2-methylbenzoyl)-1-(1-phenylethyl)isoquinoline-1-carbonitrile CAS Name: 2-[(2-methylphenyl)-oxomethyl]-1-(1-phenylethyl)-1-isoquinolinecarbonitrile IUPAC Name: 2-(2-methylbenzoyl)-1-(1-phenylethyl)isoquinoline-1-carbonitrile Traditional Name: 2-o-toluoyl-1-(1-phenylethyl)isoquinoline-1-carbonitrile Formula: C26H22N2O MolecularWeight: 378.46568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2C=CC3=CC=CC=C3C2(C#N)C(C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2C=CC3=CC=CC=C3C2(C#N)C(C)C4=CC=CC=C4

InChI

InChI=1S/C26H22N2O/c1-19-10-6-8-14-23(19)25(29)28-17-16-22-13-7-9-15-24(22)26(28,18-27)20(2)21-11-4-3-5-12-21/h3-17,20H,1-2H3