4-(1,3-benzodioxol-4-ylamino)-7-(3-chloranyl-2-fluoranyl-propoxy)-6-methoxy-quinoline-3-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-4-ylamino)-7-(3-chloranyl-2-fluoranyl-propoxy)-6-methoxy-quinoline-3-carbonitrile Openeye Name: 4-(1,3-benzodioxol-4-ylamino)-7-(3-chloro-2-fluoro-propoxy)-6-methoxy-quinoline-3-carbonitrile CAS Name: 4-(1,3-benzodioxol-4-ylamino)-7-(3-chloro-2-fluoropropoxy)-6-methoxy-3-quinolinecarbonitrile IUPAC Name: 4-(1,3-benzodioxol-4-ylamino)-7-(3-chloro-2-fluoropropoxy)-6-methoxyquinoline-3-carbonitrile Traditional Name: 4-(1,3-benzodioxol-4-ylamino)-7-(3-chloro-2-fluoro-propoxy)-6-methoxy-quinoline-3-carbonitrile Formula: C21H17ClFN3O4 MolecularWeight: 429.828783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C4C(=CC=C3)OCO4)OCC(CCl)F

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C4C(=CC=C3)OCO4)OCC(CCl)F

InChI

InChI=1S/C21H17ClFN3O4/c1-27-18-5-14-16(6-19(18)28-10-13(23)7-22)25-9-12(8-24)20(14)26-15-3-2-4-17-21(15)30-11-29-17/h2-6,9,13H,7,10-11H2,1H3,(H,25,26)