ethyl 5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethoxy]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethoxy]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethoxy]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethoxy]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethoxy]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethoxy]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C23H23N3O6 MolecularWeight: 437.44522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)OCC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)OCC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H23N3O6/c1-2-29-23(28)18-14-24-26(17-7-4-3-5-8-17)22(18)32-15-21(27)25-16-9-10-19-20(13-16)31-12-6-11-30-19/h3-5,7-10,13-14H,2,6,11-12,15H2,1H3,(H,25,27)