N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-2,3-dihydro-1,4-dioxin-5-carboxamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2,3-dihydro-p-dioxin-5-carboxamide Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=COCCO3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=COCCO3

InChI

InChI=1S/C18H21N3O3/c1-13-16(10-19-18(22)17-12-23-8-9-24-17)14(2)21(20-13)11-15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,19,22)