azepan-1-yl-[1-[(4-bromanylphenoxy)methyl]pyrazol-3-yl]methanone

Systemtic Name: azepan-1-yl-[1-[(4-bromanylphenoxy)methyl]pyrazol-3-yl]methanone Openeye Name: azepan-1-yl-[1-[(4-bromophenoxy)methyl]pyrazol-3-yl]methanone CAS Name: 1-azepanyl-[1-[(4-bromophenoxy)methyl]-3-pyrazolyl]methanone IUPAC Name: azepan-1-yl-[1-[(4-bromophenoxy)methyl]pyrazol-3-yl]methanone Traditional Name: azepan-1-yl-[1-[(4-bromophenoxy)methyl]pyrazol-3-yl]methanone Formula: C17H20BrN3O2 MolecularWeight: 378.2636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=NN(C=C2)COC3=CC=C(C=C3)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=NN(C=C2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H20BrN3O2/c18-14-5-7-15(8-6-14)23-13-21-12-9-16(19-21)17(22)20-10-3-1-2-4-11-20/h5-9,12H,1-4,10-11,13H2