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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)benzenecarbonitrile Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)benzonitrile CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)benzonitrile IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)benzonitrile Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)benzonitrile Formula: C16H14N2O2 MolecularWeight: 266.29456

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC3=CC=CC=C3C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC3=CC=CC=C3C#N)OC1

InChI

InChI=1S/C16H14N2O2/c17-11-12-4-1-2-5-14(12)18-13-6-7-15-16(10-13)20-9-3-8-19-15/h1-2,4-7,10,18H,3,8-9H2