1-but-3-enoxy-4-(3-fluorophenyl)-6-methoxy-isoquinoline-3-carbonitrile

Systemtic Name: 1-but-3-enoxy-4-(3-fluorophenyl)-6-methoxy-isoquinoline-3-carbonitrile Openeye Name: 1-but-3-enoxy-4-(3-fluorophenyl)-6-methoxy-isoquinoline-3-carbonitrile CAS Name: 1-but-3-enoxy-4-(3-fluorophenyl)-6-methoxy-3-isoquinolinecarbonitrile IUPAC Name: 1-but-3-enoxy-4-(3-fluorophenyl)-6-methoxyisoquinoline-3-carbonitrile Traditional Name: 1-but-3-enoxy-4-(3-fluorophenyl)-6-methoxy-isoquinoline-3-carbonitrile Formula: C21H17FN2O2 MolecularWeight: 348.370283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=C2C3=CC(=CC=C3)F)C#N)OCCC=C

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=C2C3=CC(=CC=C3)F)C#N)OCCC=C

InChI

InChI=1S/C21H17FN2O2/c1-3-4-10-26-21-17-9-8-16(25-2)12-18(17)20(19(13-23)24-21)14-6-5-7-15(22)11-14/h3,5-9,11-12H,1,4,10H2,2H3