2-(2,2-diethoxyethyl)-4-(3-fluorophenyl)-6-methoxy-1-oxidanylidene-isoquinoline-3-carbonitrile

Systemtic Name: 2-(2,2-diethoxyethyl)-4-(3-fluorophenyl)-6-methoxy-1-oxidanylidene-isoquinoline-3-carbonitrile Openeye Name: 2-(2,2-diethoxyethyl)-4-(3-fluorophenyl)-6-methoxy-1-oxo-isoquinoline-3-carbonitrile CAS Name: 2-(2,2-diethoxyethyl)-4-(3-fluorophenyl)-6-methoxy-1-oxo-3-isoquinolinecarbonitrile IUPAC Name: 2-(2,2-diethoxyethyl)-4-(3-fluorophenyl)-6-methoxy-1-oxoisoquinoline-3-carbonitrile Traditional Name: 2-(2,2-diethoxyethyl)-4-(3-fluorophenyl)-1-keto-6-methoxy-isoquinoline-3-carbonitrile Formula: C23H23FN2O4 MolecularWeight: 410.438123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC(=CC=C3)F)C#N)OCC

Isomeric SMILES

CCOC(CN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC(=CC=C3)F)C#N)OCC

InChI

InChI=1S/C23H23FN2O4/c1-4-29-21(30-5-2)14-26-20(13-25)22(15-7-6-8-16(24)11-15)19-12-17(28-3)9-10-18(19)23(26)27/h6-12,21H,4-5,14H2,1-3H3