2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H23N3O3S/c1-15-22(16(2)25(24-15)17-7-4-3-5-8-17)23-21(26)14-29-18-9-10-19-20(13-18)28-12-6-11-27-19/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,23,26)