(2S)-2-(1,3-benzodioxol-5-yloxy)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide Openeye Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)propanamide CAS Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)propanamide IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide Traditional Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@H](C)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O5/c1-13-19(21(26)24(23(13)3)15-7-5-4-6-8-15)22-20(25)14(2)29-16-9-10-17-18(11-16)28-12-27-17/h4-11,14H,12H2,1-3H3,(H,22,25)/t14-/m0/s1