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

Systemtic Name: ethyl 3-[7-iodanyl-2,5-bis(oxidanylidene)-3-phenyl-1-(phenylmethyl)-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoate Openeye Name: ethyl 3-(1-benzyl-7-iodo-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-4-yl)-3-phenyl-propanoate CAS Name: 3-[7-iodo-2,5-dioxo-3-phenyl-1-(phenylmethyl)-3H-1,4-benzodiazepin-4-yl]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-(1-benzyl-7-iodo-2,5-dioxo-3-phenyl-3H-1,4-benzodiazepin-4-yl)-3-phenylpropanoate Traditional Name: 3-(1-benzyl-7-iodo-2,5-diketo-3-phenyl-3H-1,4-benzodiazepin-4-yl)-3-phenyl-propionic acid ethyl ester Formula: C33H29IN2O4 MolecularWeight: 644.49883

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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)CC4=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)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H29IN2O4/c1-2-40-30(37)21-29(24-14-8-4-9-15-24)36-31(25-16-10-5-11-17-25)33(39)35(22-23-12-6-3-7-13-23)28-19-18-26(34)20-27(28)32(36)38/h3-20,29,31H,2,21-22H2,1H3