3-methyl-2-(phenylcarbonyl)-1-propan-2-yl-isoquinoline-1-carbonitrile

Systemtic Name: 3-methyl-2-(phenylcarbonyl)-1-propan-2-yl-isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-1-isopropyl-3-methyl-isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-3-methyl-1-propan-2-yl-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-3-methyl-1-propan-2-ylisoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-1-isopropyl-3-methyl-isoquinoline-1-carbonitrile Formula: C21H20N2O MolecularWeight: 316.3963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C(N1C(=O)C3=CC=CC=C3)(C#N)C(C)C

Isomeric SMILES

CC1=CC2=CC=CC=C2C(N1C(=O)C3=CC=CC=C3)(C#N)C(C)C

InChI

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