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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=CC=CC=C2C=CN1C(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCC1(C2=CC=CC=C2C=CN1C(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H20N2O/c1-2-3-14-21(16-22)19-12-8-7-9-17(19)13-15-23(21)20(24)18-10-5-4-6-11-18/h4-13,15H,2-3,14H2,1H3