(1-azanyl-1-oxidanylidene-propan-2-yl) 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxylate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxylate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxylate CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolecarboxylic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxylate Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxylic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CC(C(=O)N)OC(=O)C1=CN(N=C1C2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C17H19N3O5/c1-10(16(18)21)25-17(22)12-9-20(2)19-15(12)11-4-5-13-14(8-11)24-7-3-6-23-13/h4-5,8-10H,3,6-7H2,1-2H3,(H2,18,21)