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

Systemtic Name: 1-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanone Openeye Name: 1-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanone CAS Name: 1-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)ethanone IUPAC Name: 1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone Traditional Name: 1-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanone Formula: C25H35N5O2 MolecularWeight: 437.5777

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N5O2/c1-20-23(21(2)30(26-20)22-10-6-5-7-11-22)18-24(31)29-16-14-27(15-17-29)19-25(32)28-12-8-3-4-9-13-28/h5-7,10-11H,3-4,8-9,12-19H2,1-2H3