N-(butylcarbamoyl)-2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]ethanamide

Systemtic Name: N-(butylcarbamoyl)-2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanylidene-piperazin-1-yl]ethanamide Openeye Name: N-(butylcarbamoyl)-2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxo-piperazin-1-yl]acetamide CAS Name: N-[butylamino(oxo)methyl]-2-[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-oxo-1-piperazinyl]acetamide IUPAC Name: N-(butylcarbamoyl)-2-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-oxopiperazin-1-yl]acetamide Traditional Name: N-(butylcarbamoyl)-2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-keto-piperazino]acetamide Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)CN1CCNC(=O)C1C2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCCCNC(=O)NC(=O)CN1CCNC(=O)C1C2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H30N6O3/c1-4-5-11-24-22(31)25-18(29)14-27-13-12-23-21(30)20(27)19-15(2)26-28(16(19)3)17-9-7-6-8-10-17/h6-10,20H,4-5,11-14H2,1-3H3,(H,23,30)(H2,24,25,29,31)