ethyl 3-[7-(4-cyanobutoxy)-1-ethyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoate

Systemtic Name: ethyl 3-[7-(4-cyanobutoxy)-1-ethyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoate Openeye Name: ethyl 3-[7-(4-cyanobutoxy)-1-ethyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoate CAS Name: 3-[7-(4-cyanobutoxy)-1-ethyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[7-(4-cyanobutoxy)-1-ethyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoate Traditional Name: 3-[7-(4-cyanobutoxy)-1-ethyl-2,5-diketo-3H-1,4-benzodiazepin-4-yl]propionic acid ethyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CN(C(=O)C2=C1C=CC(=C2)OCCCCC#N)CCC(=O)OCC

Isomeric SMILES

CCN1C(=O)CN(C(=O)C2=C1C=CC(=C2)OCCCCC#N)CCC(=O)OCC

InChI

InChI=1S/C21H27N3O5/c1-3-24-18-9-8-16(29-13-7-5-6-11-22)14-17(18)21(27)23(15-19(24)25)12-10-20(26)28-4-2/h8-9,14H,3-7,10,12-13,15H2,1-2H3