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

Systemtic Name: ethyl 3-[7-iodanyl-2,5-bis(oxidanylidene)-3-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]butanoate Openeye Name: ethyl 3-(7-iodo-1-isopropyl-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-4-yl)butanoate CAS Name: 3-(7-iodo-2,5-dioxo-3-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl)butanoic acid ethyl ester IUPAC Name: ethyl 3-(7-iodo-2,5-dioxo-3-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl)butanoate Traditional Name: 3-(7-iodo-1-isopropyl-2,5-diketo-3-phenyl-3H-1,4-benzodiazepin-4-yl)butyric acid ethyl ester Formula: C24H27IN2O4 MolecularWeight: 534.38665

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)N1C(C(=O)N(C2=C(C1=O)C=C(C=C2)I)C(C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(C)N1C(C(=O)N(C2=C(C1=O)C=C(C=C2)I)C(C)C)C3=CC=CC=C3

InChI

InChI=1S/C24H27IN2O4/c1-5-31-21(28)13-16(4)27-22(17-9-7-6-8-10-17)24(30)26(15(2)3)20-12-11-18(25)14-19(20)23(27)29/h6-12,14-16,22H,5,13H2,1-4H3