4-(3-fluorophenyl)-2-[2-(2-hydroxyethylamino)ethyl]-6-methoxy-1-oxidanylidene-isoquinoline-3-carbonitrile

Systemtic Name: 4-(3-fluorophenyl)-2-[2-(2-hydroxyethylamino)ethyl]-6-methoxy-1-oxidanylidene-isoquinoline-3-carbonitrile Openeye Name: 4-(3-fluorophenyl)-2-[2-(2-hydroxyethylamino)ethyl]-6-methoxy-1-oxo-isoquinoline-3-carbonitrile CAS Name: 4-(3-fluorophenyl)-2-[2-(2-hydroxyethylamino)ethyl]-6-methoxy-1-oxo-3-isoquinolinecarbonitrile IUPAC Name: 4-(3-fluorophenyl)-2-[2-(2-hydroxyethylamino)ethyl]-6-methoxy-1-oxoisoquinoline-3-carbonitrile Traditional Name: 4-(3-fluorophenyl)-2-[2-(2-hydroxyethylamino)ethyl]-1-keto-6-methoxy-isoquinoline-3-carbonitrile Formula: C21H20FN3O3 MolecularWeight: 381.400203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC(=CC=C3)F)C#N)CCNCCO

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC(=CC=C3)F)C#N)CCNCCO

InChI

InChI=1S/C21H20FN3O3/c1-28-16-5-6-17-18(12-16)20(14-3-2-4-15(22)11-14)19(13-23)25(21(17)27)9-7-24-8-10-26/h2-6,11-12,24,26H,7-10H2,1H3