6-chloranyl-N-(1H-1,2,4-triazol-5-yl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-(1H-1,2,4-triazol-5-yl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-(1H-1,2,4-triazol-5-yl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-(1H-1,2,4-triazol-5-yl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-(1H-1,2,4-triazol-5-yl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-(1H-1,2,4-triazol-5-yl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C12H11ClN4O3 MolecularWeight: 294.69374

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NC3=NC=NN3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NC3=NC=NN3)Cl)OC1

InChI

InChI=1S/C12H11ClN4O3/c13-8-4-7(11(18)16-12-14-6-15-17-12)5-9-10(8)20-3-1-2-19-9/h4-6H,1-3H2,(H2,14,15,16,17,18)