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

Systemtic Name: 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]benzenecarbonitrile Openeye Name: 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]benzonitrile CAS Name: 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]benzonitrile IUPAC Name: 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)methyl]benzonitrile Traditional Name: 3-[(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=CC(=C3)C#N)OC1

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O2/c18-11-13-3-1-4-14(9-13)12-19-15-5-6-16-17(10-15)21-8-2-7-20-16/h1,3-6,9-10,19H,2,7-8,12H2