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

Systemtic Name: ethyl 3-[7-iodanyl-2,5-bis(oxidanylidene)-1,3-diphenyl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoate Openeye Name: ethyl 3-(7-iodo-2,5-dioxo-1,3-diphenyl-3H-1,4-benzodiazepin-4-yl)-3-phenyl-propanoate CAS Name: 3-(7-iodo-2,5-dioxo-1,3-diphenyl-3H-1,4-benzodiazepin-4-yl)-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-(7-iodo-2,5-dioxo-1,3-diphenyl-3H-1,4-benzodiazepin-4-yl)-3-phenylpropanoate Traditional Name: 3-(7-iodo-2,5-diketo-1,3-diphenyl-3H-1,4-benzodiazepin-4-yl)-3-phenyl-propionic acid ethyl ester Formula: C32H27IN2O4 MolecularWeight: 630.47225

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)N2C(C(=O)N(C3=C(C2=O)C=C(C=C3)I)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)N2C(C(=O)N(C3=C(C2=O)C=C(C=C3)I)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H27IN2O4/c1-2-39-29(36)21-28(22-12-6-3-7-13-22)35-30(23-14-8-4-9-15-23)32(38)34(25-16-10-5-11-17-25)27-19-18-24(33)20-26(27)31(35)37/h3-20,28,30H,2,21H2,1H3