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

Systemtic Name: 1-ethyl-2-[(3-oxidanyl-2,4-dihydro-1,5-benzodioxepin-3-yl)methyl]guanidine Openeye Name: 1-ethyl-2-[(3-hydroxy-2,4-dihydro-1,5-benzodioxepin-3-yl)methyl]guanidine CAS Name: 1-ethyl-2-[(3-hydroxy-2,4-dihydro-1,5-benzodioxepin-3-yl)methyl]guanidine IUPAC Name: 1-ethyl-2-[(3-hydroxy-2,4-dihydro-1,5-benzodioxepin-3-yl)methyl]guanidine Traditional Name: 1-ethyl-2-[(3-hydroxy-2,4-dihydro-1,5-benzodioxepin-3-yl)methyl]guanidine Formula: C13H19N3O3 MolecularWeight: 265.30826

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=NCC1(COC2=CC=CC=C2OC1)O)N

Isomeric SMILES

CCNC(=NCC1(COC2=CC=CC=C2OC1)O)N

InChI

InChI=1S/C13H19N3O3/c1-2-15-12(14)16-7-13(17)8-18-10-5-3-4-6-11(10)19-9-13/h3-6,17H,2,7-9H2,1H3,(H3,14,15,16)