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

Systemtic Name: 1-[2-(1-adamantyl)ethyl]-1-[2,4-bis(oxidanylidene)-5-phenyl-1H-1,5-benzodiazepin-3-yl]-3-[3-(dimethylamino)phenyl]urea Openeye Name: 1-[2-(1-adamantyl)ethyl]-3-[3-(dimethylamino)phenyl]-1-(2,4-dioxo-5-phenyl-1H-1,5-benzodiazepin-3-yl)urea CAS Name: 1-[2-(1-adamantyl)ethyl]-3-[3-(dimethylamino)phenyl]-1-(2,4-dioxo-5-phenyl-1H-1,5-benzodiazepin-3-yl)urea IUPAC Name: 1-[2-(1-adamantyl)ethyl]-3-[3-(dimethylamino)phenyl]-1-(2,4-dioxo-5-phenyl-1H-1,5-benzodiazepin-3-yl)urea Traditional Name: 1-[2-(1-adamantyl)ethyl]-1-(2,4-diketo-5-phenyl-1H-1,5-benzodiazepin-3-yl)-3-[3-(dimethylamino)phenyl]urea Formula: C36H41N5O3 MolecularWeight: 591.74244

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC(=C1)NC(=O)N(CCC23CC4CC(C2)CC(C4)C3)C5C(=O)NC6=CC=CC=C6N(C5=O)C7=CC=CC=C7

Isomeric SMILES

CN(C)C1=CC=CC(=C1)NC(=O)N(CCC23CC4CC(C2)CC(C4)C3)C5C(=O)NC6=CC=CC=C6N(C5=O)C7=CC=CC=C7

InChI

InChI=1S/C36H41N5O3/c1-39(2)29-12-8-9-27(20-29)37-35(44)40(16-15-36-21-24-17-25(22-36)19-26(18-24)23-36)32-33(42)38-30-13-6-7-14-31(30)41(34(32)43)28-10-4-3-5-11-28/h3-14,20,24-26,32H,15-19,21-23H2,1-2H3,(H,37,44)(H,38,42)