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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]acetamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CSC3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CSC3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C23H25N3O3S/c1-15-5-7-18(8-6-15)26-17(3)23(16(2)25-26)24-22(27)14-30-19-9-10-20-21(13-19)29-12-4-11-28-20/h5-10,13H,4,11-12,14H2,1-3H3,(H,24,27)