N-(8-bromanyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-1H-pyrazol-4-amine

Systemtic Name: N-(8-bromanyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-1H-pyrazol-4-amine Openeye Name: N-(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-1H-pyrazol-4-amine CAS Name: N-(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-1H-pyrazol-4-amine IUPAC Name: N-(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-1H-pyrazol-4-amine Traditional Name: (8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-(1H-pyrazol-4-yl)amine Formula: C13H14BrN3O MolecularWeight: 308.17376

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C=C(C=C2)Br)OC1)NC3=CNN=C3

Isomeric SMILES

C1CC(C2=C(C=C(C=C2)Br)OC1)NC3=CNN=C3

InChI

InChI=1S/C13H14BrN3O/c14-9-3-4-11-12(17-10-7-15-16-8-10)2-1-5-18-13(11)6-9/h3-4,6-8,12,17H,1-2,5H2,(H,15,16)