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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CN4C5=CC=CC=C5N(C(=O)C(C4=O)NC(=O)OC6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CN4C5=CC=CC=C5N(C(=O)C(C4=O)NC(=O)OC6=CC=CC=C6)C7=CC=CC=C7

InChI

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