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

Systemtic Name: 1-[1-(1-adamantylmethyl)-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-3-yl]-3-(3-nitrophenyl)urea Openeye Name: 1-[1-(1-adamantylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-(3-nitrophenyl)urea CAS Name: 1-[1-(1-adamantylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-(3-nitrophenyl)urea IUPAC Name: 1-[1-(1-adamantylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-(3-nitrophenyl)urea Traditional Name: 1-[1-(1-adamantylmethyl)-2,4-diketo-5-phenyl-1,5-benzodiazepin-3-yl]-3-(3-nitrophenyl)urea Formula: C33H33N5O5 MolecularWeight: 579.64562

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CN4C5=CC=CC=C5N(C(=O)C(C4=O)NC(=O)NC6=CC(=CC=C6)[N+](=O)[O-])C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CN4C5=CC=CC=C5N(C(=O)C(C4=O)NC(=O)NC6=CC(=CC=C6)[N+](=O)[O-])C7=CC=CC=C7

InChI

InChI=1S/C33H33N5O5/c39-30-29(35-32(41)34-24-7-6-10-26(16-24)38(42)43)31(40)37(25-8-2-1-3-9-25)28-12-5-4-11-27(28)36(30)20-33-17-21-13-22(18-33)15-23(14-21)19-33/h1-12,16,21-23,29H,13-15,17-20H2,(H2,34,35,41)