phenyl N-[1-(2-adamantylmethyl)-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-3-yl]carbamate

Systemtic Name: phenyl N-[1-(2-adamantylmethyl)-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-3-yl]carbamate Openeye Name: phenyl N-[1-(2-adamantylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[1-(2-adamantylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]carbamic acid phenyl ester IUPAC Name: phenyl N-[1-(2-adamantylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-(2-adamantylmethyl)-2,4-diketo-5-phenyl-1,5-benzodiazepin-3-yl]carbamic acid phenyl ester Formula: C33H33N3O4 MolecularWeight: 535.63282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3CN4C5=CC=CC=C5N(C(=O)C(C4=O)NC(=O)OC6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)C3CN4C5=CC=CC=C5N(C(=O)C(C4=O)NC(=O)OC6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C33H33N3O4/c37-31-30(34-33(39)40-26-11-5-2-6-12-26)32(38)36(25-9-3-1-4-10-25)29-14-8-7-13-28(29)35(31)20-27-23-16-21-15-22(18-23)19-24(27)17-21/h1-14,21-24,27,30H,15-20H2,(H,34,39)