azepan-1-yl-[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]methanone Openeye Name: azepan-1-yl-[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]methanone CAS Name: 1-azepanyl-[1-(4-bromophenyl)-5-methyl-4-pyrazolyl]methanone IUPAC Name: azepan-1-yl-[1-(4-bromophenyl)-5-methylpyrazol-4-yl]methanone Traditional Name: azepan-1-yl-[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]methanone Formula: C17H20BrN3O MolecularWeight: 362.2642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)N3CCCCCC3

InChI

InChI=1S/C17H20BrN3O/c1-13-16(17(22)20-10-4-2-3-5-11-20)12-19-21(13)15-8-6-14(18)7-9-15/h6-9,12H,2-5,10-11H2,1H3