ethyl 3-[7-(5-cyanopentyl)-2,5-bis(oxidanylidene)-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]butanoate

Systemtic Name: ethyl 3-[7-(5-cyanopentyl)-2,5-bis(oxidanylidene)-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]butanoate Openeye Name: ethyl 3-[7-(5-cyanopentyl)-1-isopropyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]butanoate CAS Name: 3-[7-(5-cyanopentyl)-2,5-dioxo-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]butanoic acid ethyl ester IUPAC Name: ethyl 3-[7-(5-cyanopentyl)-2,5-dioxo-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]butanoate Traditional Name: 3-[7-(5-cyanopentyl)-1-isopropyl-2,5-diketo-3H-1,4-benzodiazepin-4-yl]butyric acid ethyl ester Formula: C24H33N3O4 MolecularWeight: 427.53652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)N1CC(=O)N(C2=C(C1=O)C=C(C=C2)CCCCCC#N)C(C)C

Isomeric SMILES

CCOC(=O)CC(C)N1CC(=O)N(C2=C(C1=O)C=C(C=C2)CCCCCC#N)C(C)C

InChI

InChI=1S/C24H33N3O4/c1-5-31-23(29)14-18(4)26-16-22(28)27(17(2)3)21-12-11-19(15-20(21)24(26)30)10-8-6-7-9-13-25/h11-12,15,17-18H,5-10,14,16H2,1-4H3