N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-oxo-4-(2-thienyl)butanamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-oxo-4-thiophen-2-ylbutanamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-keto-4-(2-thienyl)butyramide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C21H23N3O2S/c1-15-18(16(2)24(23-15)14-17-7-4-3-5-8-17)13-22-21(26)11-10-19(25)20-9-6-12-27-20/h3-9,12H,10-11,13-14H2,1-2H3,(H,22,26)