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

Systemtic Name: 2-cyclopropyl-6-ethoxy-4-(3-fluorophenyl)-1-oxidanylidene-isoquinoline-3-carbonitrile Openeye Name: 2-cyclopropyl-6-ethoxy-4-(3-fluorophenyl)-1-oxo-isoquinoline-3-carbonitrile CAS Name: 2-cyclopropyl-6-ethoxy-4-(3-fluorophenyl)-1-oxo-3-isoquinolinecarbonitrile IUPAC Name: 2-cyclopropyl-6-ethoxy-4-(3-fluorophenyl)-1-oxoisoquinoline-3-carbonitrile Traditional Name: 2-cyclopropyl-6-ethoxy-4-(3-fluorophenyl)-1-keto-isoquinoline-3-carbonitrile Formula: C21H17FN2O2 MolecularWeight: 348.370283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC(=CC=C3)F)C#N)C4CC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC(=CC=C3)F)C#N)C4CC4

InChI

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