2-butyl-6-methoxy-1-oxidanylidene-4-phenyl-isoquinoline-3-carbonitrile

Systemtic Name: 2-butyl-6-methoxy-1-oxidanylidene-4-phenyl-isoquinoline-3-carbonitrile Openeye Name: 2-butyl-6-methoxy-1-oxo-4-phenyl-isoquinoline-3-carbonitrile CAS Name: 2-butyl-6-methoxy-1-oxo-4-phenyl-3-isoquinolinecarbonitrile IUPAC Name: 2-butyl-6-methoxy-1-oxo-4-phenylisoquinoline-3-carbonitrile Traditional Name: 2-butyl-1-keto-6-methoxy-4-phenyl-isoquinoline-3-carbonitrile Formula: C21H20N2O2 MolecularWeight: 332.3957

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H20N2O2/c1-3-4-12-23-19(14-22)20(15-8-6-5-7-9-15)18-13-16(25-2)10-11-17(18)21(23)24/h5-11,13H,3-4,12H2,1-2H3