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

Systemtic Name: 1-[5-(1-adamantylmethyl)-2,4-bis(oxidanylidene)-1H-1,5-benzodiazepin-3-yl]-3-phenyl-urea Openeye Name: 1-[5-(1-adamantylmethyl)-2,4-dioxo-1H-1,5-benzodiazepin-3-yl]-3-phenyl-urea CAS Name: 1-[5-(1-adamantylmethyl)-2,4-dioxo-1H-1,5-benzodiazepin-3-yl]-3-phenylurea IUPAC Name: 1-[5-(1-adamantylmethyl)-2,4-dioxo-1H-1,5-benzodiazepin-3-yl]-3-phenylurea Traditional Name: 1-[5-(1-adamantylmethyl)-2,4-diketo-1H-1,5-benzodiazepin-3-yl]-3-phenyl-urea Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CN4C5=CC=CC=C5NC(=O)C(C4=O)NC(=O)NC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CN4C5=CC=CC=C5NC(=O)C(C4=O)NC(=O)NC6=CC=CC=C6

InChI

InChI=1S/C27H30N4O3/c32-24-23(30-26(34)28-20-6-2-1-3-7-20)25(33)31(22-9-5-4-8-21(22)29-24)16-27-13-17-10-18(14-27)12-19(11-17)15-27/h1-9,17-19,23H,10-16H2,(H,29,32)(H2,28,30,34)