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

Systemtic Name: methyl 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]amino]butanoate CAS Name: 4-[[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carbonyl]amino]butanoate Traditional Name: 4-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]amino]butyric acid methyl ester Formula: C19H23N3O5 MolecularWeight: 373.40302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5/c1-22-12-14(19(24)20-8-3-5-17(23)25-2)18(21-22)13-6-7-15-16(11-13)27-10-4-9-26-15/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,20,24)