N-[(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1H-pyrazol-4-amine

Systemtic Name: N-[(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1H-pyrazol-4-amine Openeye Name: N-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1H-pyrazol-4-amine CAS Name: N-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1H-pyrazol-4-amine IUPAC Name: N-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1H-pyrazol-4-amine Traditional Name: (6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(1H-pyrazol-4-yl)amine Formula: C13H14BrN3O2 MolecularWeight: 324.17316

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC3=CNN=C3)Br)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC3=CNN=C3)Br)OC1

InChI

InChI=1S/C13H14BrN3O2/c14-11-4-9(6-15-10-7-16-17-8-10)5-12-13(11)19-3-1-2-18-12/h4-5,7-8,15H,1-3,6H2,(H,16,17)