1-[1-(2-adamantyl)-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenyl-urea

Systemtic Name: 1-[1-(2-adamantyl)-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenyl-urea Openeye Name: 1-[1-(2-adamantyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenyl-urea CAS Name: 1-[1-(2-adamantyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenylurea IUPAC Name: 1-[1-(2-adamantyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenylurea Traditional Name: 1-[1-(2-adamantyl)-2,4-diketo-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenyl-urea Formula: C32H32N4O3 MolecularWeight: 520.62148

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3N4C5=CC=CC=C5N(C(=O)C(C4=O)NC(=O)NC6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)C3N4C5=CC=CC=C5N(C(=O)C(C4=O)NC(=O)NC6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C32H32N4O3/c37-30-28(34-32(39)33-24-9-3-1-4-10-24)31(38)36(29-22-16-20-15-21(18-22)19-23(29)17-20)27-14-8-7-13-26(27)35(30)25-11-5-2-6-12-25/h1-14,20-23,28-29H,15-19H2,(H2,33,34,39)