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

Systemtic Name: 8-bromanyl-N-(1-pyrazol-1-ylpropan-2-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Openeye Name: 8-bromo-N-(1-methyl-2-pyrazol-1-yl-ethyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine CAS Name: 8-bromo-N-[1-(1-pyrazolyl)propan-2-yl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine IUPAC Name: 8-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Traditional Name: (8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-(1-methyl-2-pyrazol-1-yl-ethyl)amine Formula: C16H20BrN3O MolecularWeight: 350.2535

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=CC=N1)NC2CCCOC3=C2C=CC(=C3)Br

Isomeric SMILES

CC(CN1C=CC=N1)NC2CCCOC3=C2C=CC(=C3)Br

InChI

InChI=1S/C16H20BrN3O/c1-12(11-20-8-3-7-18-20)19-15-4-2-9-21-16-10-13(17)5-6-14(15)16/h3,5-8,10,12,15,19H,2,4,9,11H2,1H3