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

Systemtic Name: ethyl 3-[7-(4-cyanobutanoylamino)-1-methyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoate Openeye Name: ethyl 3-[7-(4-cyanobutanoylamino)-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoate CAS Name: 3-[7-[(4-cyano-1-oxobutyl)amino]-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[7-(4-cyanobutanoylamino)-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoate Traditional Name: 3-[7-(4-cyanobutanoylamino)-2,5-diketo-1-methyl-3H-1,4-benzodiazepin-4-yl]propionic acid ethyl ester Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CC(=O)N(C2=C(C1=O)C=C(C=C2)NC(=O)CCCC#N)C

Isomeric SMILES

CCOC(=O)CCN1CC(=O)N(C2=C(C1=O)C=C(C=C2)NC(=O)CCCC#N)C

InChI

InChI=1S/C20H24N4O5/c1-3-29-19(27)9-11-24-13-18(26)23(2)16-8-7-14(12-15(16)20(24)28)22-17(25)6-4-5-10-21/h7-8,12H,3-6,9,11,13H2,1-2H3,(H,22,25)