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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pentanenitrile Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pentanenitrile CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pentanenitrile IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pentanenitrile Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)valeronitrile Formula: C14H18N2O2 MolecularWeight: 246.30492

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)NC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CCC(CC#N)NC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C14H18N2O2/c1-2-11(6-7-15)16-12-4-5-13-14(10-12)18-9-3-8-17-13/h4-5,10-11,16H,2-3,6,8-9H2,1H3