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

Systemtic Name: N-(8-bromanyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-1,3,5-trimethyl-pyrazol-4-amine Openeye Name: N-(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-1,3,5-trimethyl-pyrazol-4-amine CAS Name: N-(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-1,3,5-trimethyl-4-pyrazolamine IUPAC Name: N-(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-1,3,5-trimethylpyrazol-4-amine Traditional Name: (8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-(1,3,5-trimethylpyrazol-4-yl)amine Formula: C16H20BrN3O MolecularWeight: 350.2535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC2CCCOC3=C2C=CC(=C3)Br

Isomeric SMILES

CC1=C(C(=NN1C)C)NC2CCCOC3=C2C=CC(=C3)Br

InChI

InChI=1S/C16H20BrN3O/c1-10-16(11(2)20(3)19-10)18-14-5-4-8-21-15-9-12(17)6-7-13(14)15/h6-7,9,14,18H,4-5,8H2,1-3H3