azepan-1-yl-[4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]methanone

Systemtic Name: azepan-1-yl-[4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]methanone Openeye Name: azepan-1-yl-[4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]methanone CAS Name: 1-azepanyl-[4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]methanone IUPAC Name: azepan-1-yl-[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone Traditional Name: azepan-1-yl-[4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]methanone Formula: C19H24BrN3O MolecularWeight: 390.31736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N3CCCCCC3)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N3CCCCCC3)C)Br

InChI

InChI=1S/C19H24BrN3O/c1-14-18(20)15(2)23(21-14)13-16-7-9-17(10-8-16)19(24)22-11-5-3-4-6-12-22/h7-10H,3-6,11-13H2,1-2H3