butyl 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]amino]benzoate CAS Name: 4-[[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]amino]benzoic acid butyl ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O5/c1-3-4-12-33-25(30)17-6-9-19(10-7-17)26-24(29)20-16-28(2)27-23(20)18-8-11-21-22(15-18)32-14-5-13-31-21/h6-11,15-16H,3-5,12-14H2,1-2H3,(H,26,29)