(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(1,2,4-oxadiazol-3-yl)methanamine

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(1,2,4-oxadiazol-3-yl)methanamine Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(1,2,4-oxadiazol-3-yl)methanamine CAS Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(1,2,4-oxadiazol-3-yl)methanamine IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(1,2,4-oxadiazol-3-yl)methanamine Traditional Name: [(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(1,2,4-oxadiazol-3-yl)methyl]amine Formula: C12H12ClN3O3 MolecularWeight: 281.69498

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(C3=NOC=N3)N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(C3=NOC=N3)N)Cl)OC1

InChI

InChI=1S/C12H12ClN3O3/c13-8-4-7(10(14)12-15-6-19-16-12)5-9-11(8)18-3-1-2-17-9/h4-6,10H,1-3,14H2