2-(4-methylphenyl)carbonyl-1-propan-2-yl-isoquinoline-1-carbonitrile

Systemtic Name: 2-(4-methylphenyl)carbonyl-1-propan-2-yl-isoquinoline-1-carbonitrile Openeye Name: 1-isopropyl-2-(4-methylbenzoyl)isoquinoline-1-carbonitrile CAS Name: 2-[(4-methylphenyl)-oxomethyl]-1-propan-2-yl-1-isoquinolinecarbonitrile IUPAC Name: 2-(4-methylbenzoyl)-1-propan-2-ylisoquinoline-1-carbonitrile Traditional Name: 1-isopropyl-2-p-toluoyl-isoquinoline-1-carbonitrile Formula: C21H20N2O MolecularWeight: 316.3963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2(C#N)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2(C#N)C(C)C

InChI

InChI=1S/C21H20N2O/c1-15(2)21(14-22)19-7-5-4-6-17(19)12-13-23(21)20(24)18-10-8-16(3)9-11-18/h4-13,15H,1-3H3