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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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