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

Systemtic Name: 2-(phenylcarbonyl)-1-propyl-isoquinoline-1-carbonitrile Openeye Name: 2-benzoyl-1-propyl-isoquinoline-1-carbonitrile CAS Name: 2-benzoyl-1-propyl-1-isoquinolinecarbonitrile IUPAC Name: 2-benzoyl-1-propylisoquinoline-1-carbonitrile Traditional Name: 2-benzoyl-1-propyl-isoquinoline-1-carbonitrile Formula: C20H18N2O MolecularWeight: 302.36972

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=CC=CC=C2C=CN1C(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCC1(C2=CC=CC=C2C=CN1C(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C20H18N2O/c1-2-13-20(15-21)18-11-7-6-8-16(18)12-14-22(20)19(23)17-9-4-3-5-10-17/h3-12,14H,2,13H2,1H3