N-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-2H-1,2-oxazole-3-carboxamide

Systemtic Name: N-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-2H-1,2-oxazole-3-carboxamide Openeye Name: N-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-2H-isoxazole-3-carboxamide CAS Name: N-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-2H-isoxazole-3-carboxamide IUPAC Name: N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-2H-1,2-oxazole-3-carboxamide Traditional Name: N-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-3-isoxazoline-3-carboxamide Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)C3=CC(=C4C=CC(=O)C=C4)ON3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)C3=CC(=C4C=CC(=O)C=C4)ON3

InChI

InChI=1S/C22H20N4O3/c1-14-21(15(2)26(24-14)13-16-6-4-3-5-7-16)23-22(28)19-12-20(29-25-19)17-8-10-18(27)11-9-17/h3-12,25H,13H2,1-2H3,(H,23,28)