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

Systemtic Name: methyl 7-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]carbonylamino]heptanoate Openeye Name: methyl 7-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]amino]heptanoate CAS Name: 7-[[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carbonyl]amino]heptanoate Traditional Name: 7-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]amino]enanthic acid methyl ester Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCCCCCCC(=O)OC

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NCCCCCCC(=O)OC

InChI

InChI=1S/C22H29N3O5/c1-25-15-17(22(27)23-11-6-4-3-5-8-20(26)28-2)21(24-25)16-9-10-18-19(14-16)30-13-7-12-29-18/h9-10,14-15H,3-8,11-13H2,1-2H3,(H,23,27)