2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]guanidine

Systemtic Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]guanidine Openeye Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]guanidine CAS Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]guanidine IUPAC Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]guanidine Traditional Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]guanidine Formula: C12H17N3O2 MolecularWeight: 235.28228

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)CCN=C(N)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)CCN=C(N)N)OC1

InChI

InChI=1S/C12H17N3O2/c13-12(14)15-5-4-9-2-3-10-11(8-9)17-7-1-6-16-10/h2-3,8H,1,4-7H2,(H4,13,14,15)