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

Systemtic Name: ethyl 3-[7-(4-cyanobutoxy)-1-cyclohexyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoate Openeye Name: ethyl 3-[7-(4-cyanobutoxy)-1-cyclohexyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoate CAS Name: 3-[7-(4-cyanobutoxy)-1-cyclohexyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[7-(4-cyanobutoxy)-1-cyclohexyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoate Traditional Name: 3-[7-(4-cyanobutoxy)-1-cyclohexyl-2,5-diketo-3H-1,4-benzodiazepin-4-yl]propionic acid ethyl ester Formula: C25H33N3O5 MolecularWeight: 455.54662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CC(=O)N(C2=C(C1=O)C=C(C=C2)OCCCCC#N)C3CCCCC3

Isomeric SMILES

CCOC(=O)CCN1CC(=O)N(C2=C(C1=O)C=C(C=C2)OCCCCC#N)C3CCCCC3

InChI

InChI=1S/C25H33N3O5/c1-2-32-24(30)13-15-27-18-23(29)28(19-9-5-3-6-10-19)22-12-11-20(17-21(22)25(27)31)33-16-8-4-7-14-26/h11-12,17,19H,2-10,13,15-16,18H2,1H3