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

Systemtic Name: ethyl N-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazol-4-yl]carbonylamino]carbamate Openeye Name: ethyl N-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]amino]carbamate CAS Name: N-[[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolyl]-oxomethyl]amino]carbamic acid ethyl ester IUPAC Name: ethyl N-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carbonyl]amino]carbamate Traditional Name: N-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carbonyl]amino]carbamic acid ethyl ester Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NNC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CCOC(=O)NNC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C17H20N4O5/c1-3-24-17(23)19-18-16(22)12-10-21(2)20-15(12)11-5-6-13-14(9-11)26-8-4-7-25-13/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,22)(H,19,23)