2-[6-(2H-indazol-3-ylmethyl)-5,7-bis(oxidanylidene)-4-phenyl-1,4-diazepin-1-yl]-N-(4-iodophenyl)-N-propan-2-yl-ethanamide

Systemtic Name: 2-[6-(2H-indazol-3-ylmethyl)-5,7-bis(oxidanylidene)-4-phenyl-1,4-diazepin-1-yl]-N-(4-iodophenyl)-N-propan-2-yl-ethanamide Openeye Name: 2-[6-(2H-indazol-3-ylmethyl)-5,7-dioxo-4-phenyl-1,4-diazepin-1-yl]-N-(4-iodophenyl)-N-isopropyl-acetamide CAS Name: 2-[6-(2H-indazol-3-ylmethyl)-5,7-dioxo-4-phenyl-1,4-diazepin-1-yl]-N-(4-iodophenyl)-N-propan-2-ylacetamide IUPAC Name: 2-[6-(2H-indazol-3-ylmethyl)-5,7-dioxo-4-phenyl-1,4-diazepin-1-yl]-N-(4-iodophenyl)-N-propan-2-ylacetamide Traditional Name: 2-[6-(2H-indazol-3-ylmethyl)-5,7-diketo-4-phenyl-1,4-diazepin-1-yl]-N-(4-iodophenyl)-N-isopropyl-acetamide Formula: C30H28IN5O3 MolecularWeight: 633.47949

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=C(C=C1)I)C(=O)CN2C=CN(C(=O)C(C2=O)CC3=C4C=CC=CC4=NN3)C5=CC=CC=C5

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)I)C(=O)CN2C=CN(C(=O)C(C2=O)CC3=C4C=CC=CC4=NN3)C5=CC=CC=C5

InChI

InChI=1S/C30H28IN5O3/c1-20(2)36(23-14-12-21(31)13-15-23)28(37)19-34-16-17-35(22-8-4-3-5-9-22)30(39)25(29(34)38)18-27-24-10-6-7-11-26(24)32-33-27/h3-17,20,25H,18-19H2,1-2H3,(H,32,33)