2-(3-cyano-1,2,4-triazol-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-(3-cyano-1,2,4-triazol-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-(3-cyano-1,2,4-triazol-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-(3-cyano-1,2,4-triazol-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-(3-cyano-1,2,4-triazol-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-(3-cyano-1,2,4-triazol-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C14H13N5O3 MolecularWeight: 299.28472

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CN3C=NC(=N3)C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CN3C=NC(=N3)C#N)OC1

InChI

InChI=1S/C14H13N5O3/c15-7-13-16-9-19(18-13)8-14(20)17-10-2-3-11-12(6-10)22-5-1-4-21-11/h2-3,6,9H,1,4-5,8H2,(H,17,20)