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

Systemtic Name: azepan-1-yl-[1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]methanone Openeye Name: azepan-1-yl-[1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]methanone CAS Name: 1-azepanyl-[1-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-3-pyrazolyl]methanone IUPAC Name: azepan-1-yl-[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]methanone Traditional Name: azepan-1-yl-[1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]methanone Formula: C16H22BrN5O MolecularWeight: 380.28278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)N3CCCCCC3)C)Br

Isomeric SMILES

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)N3CCCCCC3)C)Br

InChI

InChI=1S/C16H22BrN5O/c1-12-15(17)13(2)22(18-12)11-21-10-7-14(19-21)16(23)20-8-5-3-4-6-9-20/h7,10H,3-6,8-9,11H2,1-2H3