N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methyl-pyrazol-3-yl]cyclohexanecarboxamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methyl-pyrazol-3-yl]cyclohexanecarboxamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-5-methyl-pyrazol-3-yl]cyclohexanecarboxamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-5-methyl-3-pyrazolyl]cyclohexanecarboxamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]cyclohexanecarboxamide Traditional Name: N-[2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-5-methyl-pyrazol-3-yl]cyclohexanecarboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2CCCCC2)C3=NC(=CS3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2CCCCC2)C3=NC(=CS3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H22N4O3S/c1-13-9-19(23-20(26)14-5-3-2-4-6-14)25(24-13)21-22-16(11-29-21)15-7-8-17-18(10-15)28-12-27-17/h7-11,14H,2-6,12H2,1H3,(H,23,26)