1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanone

Systemtic Name: 1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanone Openeye Name: 1-[4-(azepane-1-carbonyl)-1-piperidyl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanone CAS Name: 1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)ethanone IUPAC Name: 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone Traditional Name: 1-[4-(azepane-1-carbonyl)piperidino]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanone Formula: C25H34N4O2 MolecularWeight: 422.56306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H34N4O2/c1-19-23(20(2)29(26-19)22-10-6-5-7-11-22)18-24(30)27-16-12-21(13-17-27)25(31)28-14-8-3-4-9-15-28/h5-7,10-11,21H,3-4,8-9,12-18H2,1-2H3