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

Systemtic Name: ethyl 3-[7-(5-azanyl-5-azanylidene-pentoxy)-1-ethyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]propanoate Openeye Name: ethyl 3-[7-(5-amino-5-imino-pentoxy)-1-ethyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoate CAS Name: 3-[7-(5-amino-5-iminopentoxy)-1-ethyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[7-(5-amino-5-iminopentoxy)-1-ethyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoate Traditional Name: 3-[7-(5-amino-5-imino-pentoxy)-1-ethyl-2,5-diketo-3H-1,4-benzodiazepin-4-yl]propionic acid ethyl ester Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O5/c1-3-25-17-9-8-15(30-12-6-5-7-18(22)23)13-16(17)21(28)24(14-19(25)26)11-10-20(27)29-4-2/h8-9,13H,3-7,10-12,14H2,1-2H3,(H3,22,23)