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

Systemtic Name: ethyl 3-[7-(5-azanyl-5-azanylidene-pentoxy)-2,5-bis(oxidanylidene)-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]propanoate Openeye Name: ethyl 3-[7-(5-amino-5-imino-pentoxy)-1-isopropyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]propanoate CAS Name: 3-[7-(5-amino-5-iminopentoxy)-2,5-dioxo-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[7-(5-amino-5-iminopentoxy)-2,5-dioxo-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]propanoate Traditional Name: 3-[7-(5-amino-5-imino-pentoxy)-1-isopropyl-2,5-diketo-3H-1,4-benzodiazepin-4-yl]propionic acid ethyl ester Formula: C22H32N4O5 MolecularWeight: 432.51328

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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)N)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O5/c1-4-30-21(28)10-11-25-14-20(27)26(15(2)3)18-9-8-16(13-17(18)22(25)29)31-12-6-5-7-19(23)24/h8-9,13,15H,4-7,10-12,14H2,1-3H3,(H3,23,24)