2-cyclopropyl-4-(3-fluorophenyl)-6-(2-methoxyethoxy)-1-oxidanylidene-isoquinoline-3-carbonitrile

Systemtic Name: 2-cyclopropyl-4-(3-fluorophenyl)-6-(2-methoxyethoxy)-1-oxidanylidene-isoquinoline-3-carbonitrile Openeye Name: 2-cyclopropyl-4-(3-fluorophenyl)-6-(2-methoxyethoxy)-1-oxo-isoquinoline-3-carbonitrile CAS Name: 2-cyclopropyl-4-(3-fluorophenyl)-6-(2-methoxyethoxy)-1-oxo-3-isoquinolinecarbonitrile IUPAC Name: 2-cyclopropyl-4-(3-fluorophenyl)-6-(2-methoxyethoxy)-1-oxoisoquinoline-3-carbonitrile Traditional Name: 2-cyclopropyl-4-(3-fluorophenyl)-1-keto-6-(2-methoxyethoxy)isoquinoline-3-carbonitrile Formula: C22H19FN2O3 MolecularWeight: 378.396263

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC(=CC=C3)F)C#N)C4CC4

Isomeric SMILES

COCCOC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC(=CC=C3)F)C#N)C4CC4

InChI

InChI=1S/C22H19FN2O3/c1-27-9-10-28-17-7-8-18-19(12-17)21(14-3-2-4-15(23)11-14)20(13-24)25(22(18)26)16-5-6-16/h2-4,7-8,11-12,16H,5-6,9-10H2,1H3