4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-fluoro-benzonitrile CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-fluorobenzonitrile IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-fluorobenzonitrile Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-fluoro-benzonitrile Formula: C16H13FN2O2 MolecularWeight: 284.285023

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC3=C(C=C(C=C3)C#N)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC3=C(C=C(C=C3)C#N)F)OC1

InChI

InChI=1S/C16H13FN2O2/c17-13-8-11(10-18)2-4-14(13)19-12-3-5-15-16(9-12)21-7-1-6-20-15/h2-5,8-9,19H,1,6-7H2