N-[6-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-6-oxidanylidene-hexyl]benzamide

Systemtic Name: N-[6-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-6-oxidanylidene-hexyl]benzamide Openeye Name: N-[6-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-6-oxo-hexyl]benzamide CAS Name: N-[6-(4-chloro-3,5-dimethyl-1-pyrazolyl)-6-oxohexyl]benzamide IUPAC Name: N-[6-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-oxohexyl]benzamide Traditional Name: N-[6-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-6-keto-hexyl]benzamide Formula: C18H22ClN3O2 MolecularWeight: 347.83918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)CCCCCNC(=O)C2=CC=CC=C2)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C(=O)CCCCCNC(=O)C2=CC=CC=C2)C)Cl

InChI

InChI=1S/C18H22ClN3O2/c1-13-17(19)14(2)22(21-13)16(23)11-7-4-8-12-20-18(24)15-9-5-3-6-10-15/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3,(H,20,24)