N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-3-oxidanyl-but-1-ynyl)benzamide

Systemtic Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-3-oxidanyl-but-1-ynyl)benzamide Openeye Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(3-hydroxy-3-methyl-but-1-ynyl)benzamide CAS Name: N-[(1,3-dimethyl-4-pyrazolyl)methyl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide IUPAC Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide Traditional Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(3-hydroxy-3-methyl-but-1-ynyl)benzamide Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CNC(=O)C2=CC=CC(=C2)C#CC(C)(C)O)C

Isomeric SMILES

CC1=NN(C=C1CNC(=O)C2=CC=CC(=C2)C#CC(C)(C)O)C

InChI

InChI=1S/C18H21N3O2/c1-13-16(12-21(4)20-13)11-19-17(22)15-7-5-6-14(10-15)8-9-18(2,3)23/h5-7,10,12,23H,11H2,1-4H3,(H,19,22)