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

Systemtic Name: N-[(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-methyl-pyrazol-4-amine Openeye Name: N-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-methyl-pyrazol-4-amine CAS Name: N-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-methyl-4-pyrazolamine IUPAC Name: N-[(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-methylpyrazol-4-amine Traditional Name: (6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(1-methylpyrazol-4-yl)amine Formula: C14H16BrN3O2 MolecularWeight: 338.19974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)NCC2=CC3=C(C(=C2)Br)OCCCO3

Isomeric SMILES

CN1C=C(C=N1)NCC2=CC3=C(C(=C2)Br)OCCCO3

InChI

InChI=1S/C14H16BrN3O2/c1-18-9-11(8-17-18)16-7-10-5-12(15)14-13(6-10)19-3-2-4-20-14/h5-6,8-9,16H,2-4,7H2,1H3