6,7-dimethoxy-3-phenyl-1-propyl-isoquinoline-4-carbonitrile

Systemtic Name: 6,7-dimethoxy-3-phenyl-1-propyl-isoquinoline-4-carbonitrile Openeye Name: 6,7-dimethoxy-3-phenyl-1-propyl-isoquinoline-4-carbonitrile CAS Name: 6,7-dimethoxy-3-phenyl-1-propyl-4-isoquinolinecarbonitrile IUPAC Name: 6,7-dimethoxy-3-phenyl-1-propylisoquinoline-4-carbonitrile Traditional Name: 6,7-dimethoxy-3-phenyl-1-propyl-isoquinoline-4-carbonitrile Formula: C21H20N2O2 MolecularWeight: 332.3957

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C2=CC(=C(C=C21)OC)OC)C#N)C3=CC=CC=C3

Isomeric SMILES

CCCC1=NC(=C(C2=CC(=C(C=C21)OC)OC)C#N)C3=CC=CC=C3

InChI

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