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

Systemtic Name: 1-[1,5-bis(1-adamantylmethyl)-2,4-bis(oxidanylidene)-1,5-benzodiazepin-3-yl]-3-phenyl-urea Openeye Name: 1-[1,5-bis(1-adamantylmethyl)-2,4-dioxo-1,5-benzodiazepin-3-yl]-3-phenyl-urea CAS Name: 1-[1,5-bis(1-adamantylmethyl)-2,4-dioxo-1,5-benzodiazepin-3-yl]-3-phenylurea IUPAC Name: 1-[1,5-bis(1-adamantylmethyl)-2,4-dioxo-1,5-benzodiazepin-3-yl]-3-phenylurea Traditional Name: 1-[1,5-bis(1-adamantylmethyl)-2,4-diketo-1,5-benzodiazepin-3-yl]-3-phenyl-urea Formula: C38H46N4O3 MolecularWeight: 606.79684

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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)CC78CC9CC(C7)CC(C9)C8

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CN4C5=CC=CC=C5N(C(=O)C(C4=O)NC(=O)NC6=CC=CC=C6)CC78CC9CC(C7)CC(C9)C8

InChI

InChI=1S/C38H46N4O3/c43-34-33(40-36(45)39-30-6-2-1-3-7-30)35(44)42(23-38-19-27-13-28(20-38)15-29(14-27)21-38)32-9-5-4-8-31(32)41(34)22-37-16-24-10-25(17-37)12-26(11-24)18-37/h1-9,24-29,33H,10-23H2,(H2,39,40,45)