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

Systemtic Name: ethyl 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H25N3O5/c1-2-24-18(23)21-8-6-20(7-9-21)13-17(22)19-14-4-5-15-16(12-14)26-11-3-10-25-15/h4-5,12H,2-3,6-11,13H2,1H3,(H,19,22)