4-[[3,4-bis(fluoranyl)phenyl]methylamino]-6,7-diethoxy-quinoline-3-carbonitrile

Systemtic Name: 4-[[3,4-bis(fluoranyl)phenyl]methylamino]-6,7-diethoxy-quinoline-3-carbonitrile Openeye Name: 4-[(3,4-difluorophenyl)methylamino]-6,7-diethoxy-quinoline-3-carbonitrile CAS Name: 4-[(3,4-difluorophenyl)methylamino]-6,7-diethoxy-3-quinolinecarbonitrile IUPAC Name: 4-[(3,4-difluorophenyl)methylamino]-6,7-diethoxyquinoline-3-carbonitrile Traditional Name: 4-[(3,4-difluorobenzyl)amino]-6,7-diethoxy-quinoline-3-carbonitrile Formula: C21H19F2N3O2 MolecularWeight: 383.391266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NCC3=CC(=C(C=C3)F)F)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NCC3=CC(=C(C=C3)F)F)OCC

InChI

InChI=1S/C21H19F2N3O2/c1-3-27-19-8-15-18(9-20(19)28-4-2)25-12-14(10-24)21(15)26-11-13-5-6-16(22)17(23)7-13/h5-9,12H,3-4,11H2,1-2H3,(H,25,26)