1-(2-methylpropyl)-2-(phenylcarbonyl)isoquinoline-1-carbonitrile

Systemtic Name: 1-(2-methylpropyl)-2-(phenylcarbonyl)isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-1-isobutyl-isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-1-(2-methylpropyl)-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-1-(2-methylpropyl)isoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-1-isobutyl-isoquinoline-1-carbonitrile Formula: C21H20N2O MolecularWeight: 316.3963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(C2=CC=CC=C2C=CN1C(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)CC1(C2=CC=CC=C2C=CN1C(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H20N2O/c1-16(2)14-21(15-22)19-11-7-6-8-17(19)12-13-23(21)20(24)18-9-4-3-5-10-18/h3-13,16H,14H2,1-2H3