3-methyl-2-(2-methylphenyl)carbonyl-1-propan-2-yl-isoquinoline-1-carbonitrile

Systemtic Name: 3-methyl-2-(2-methylphenyl)carbonyl-1-propan-2-yl-isoquinoline-1-carbonitrile Openeye Name: 1-isopropyl-3-methyl-2-(2-methylbenzoyl)isoquinoline-1-carbonitrile CAS Name: 3-methyl-2-[(2-methylphenyl)-oxomethyl]-1-propan-2-yl-1-isoquinolinecarbonitrile IUPAC Name: 3-methyl-2-(2-methylbenzoyl)-1-propan-2-ylisoquinoline-1-carbonitrile Traditional Name: 1-isopropyl-3-methyl-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(C#N)C(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O/c1-15(2)22(14-23)20-12-8-6-10-18(20)13-17(4)24(22)21(25)19-11-7-5-9-16(19)3/h5-13,15H,1-4H3