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

Systemtic Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]benzenecarbonitrile Openeye Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]benzonitrile CAS Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]benzonitrile IUPAC Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]benzonitrile Traditional Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]benzonitrile Formula: C17H16N2O2 MolecularWeight: 280.32114

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NCC3=CC=C(C=C3)C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NCC3=CC=C(C=C3)C#N)OC1

InChI

InChI=1S/C17H16N2O2/c18-11-13-2-4-14(5-3-13)12-19-15-6-7-16-17(10-15)21-9-1-8-20-16/h2-7,10,19H,1,8-9,12H2