1-(azepan-1-yl)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propan-1-one Openeye Name: 1-(azepan-1-yl)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propan-1-one CAS Name: 1-(1-azepanyl)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-one Traditional Name: 1-(azepan-1-yl)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propan-1-one Formula: C20H27N3O MolecularWeight: 325.44788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O/c1-16-19(12-13-20(24)22-14-8-3-4-9-15-22)17(2)23(21-16)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3