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

Systemtic Name: 2-(2-methylphenyl)carbonyl-1-(2-methylpropyl)isoquinoline-1-carbonitrile Openeye Name: 1-isobutyl-2-(2-methylbenzoyl)isoquinoline-1-carbonitrile CAS Name: 2-[(2-methylphenyl)-oxomethyl]-1-(2-methylpropyl)-1-isoquinolinecarbonitrile IUPAC Name: 2-(2-methylbenzoyl)-1-(2-methylpropyl)isoquinoline-1-carbonitrile Traditional Name: 1-isobutyl-2-o-toluoyl-isoquinoline-1-carbonitrile Formula: C22H22N2O MolecularWeight: 330.42288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O/c1-16(2)14-22(15-23)20-11-7-5-9-18(20)12-13-24(22)21(25)19-10-6-4-8-17(19)3/h4-13,16H,14H2,1-3H3