3-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)benzenecarbonitrile

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)benzenecarbonitrile Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)benzonitrile CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)benzonitrile IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)benzonitrile Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)benzonitrile Formula: C17H16N2O2 MolecularWeight: 280.32114

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC(=C2OC1)CNC3=CC=CC(=C3)C#N

Isomeric SMILES

C1COC2=CC=CC(=C2OC1)CNC3=CC=CC(=C3)C#N

InChI

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