3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-ethanoylphenyl)-1-methyl-pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(4-ethanoylphenyl)-1-methyl-pyrazole-4-carboxamide Openeye Name: N-(4-acetylphenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide CAS Name: N-(4-acetylphenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-(4-acetylphenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide Traditional Name: N-(4-acetylphenyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C22H21N3O4/c1-14(26)15-4-7-17(8-5-15)23-22(27)18-13-25(2)24-21(18)16-6-9-19-20(12-16)29-11-3-10-28-19/h4-9,12-13H,3,10-11H2,1-2H3,(H,23,27)