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

Systemtic Name: 1-(azepan-1-yl)-2-[4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)piperazino]ethanone Formula: C24H33N5O2 MolecularWeight: 423.55112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CCN(CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)N3CCN(CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C24H33N5O2/c1-19-23(20(2)29(25-19)21-10-6-5-7-11-21)24(31)28-16-14-26(15-17-28)18-22(30)27-12-8-3-4-9-13-27/h5-7,10-11H,3-4,8-9,12-18H2,1-2H3