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

Systemtic Name: 1-[5-(1-adamantylmethyl)-1-methyl-2,4-bis(oxidanylidene)-1,5-benzodiazepin-3-yl]-3-phenyl-urea Openeye Name: 1-[5-(1-adamantylmethyl)-1-methyl-2,4-dioxo-1,5-benzodiazepin-3-yl]-3-phenyl-urea CAS Name: 1-[5-(1-adamantylmethyl)-1-methyl-2,4-dioxo-1,5-benzodiazepin-3-yl]-3-phenylurea IUPAC Name: 1-[5-(1-adamantylmethyl)-1-methyl-2,4-dioxo-1,5-benzodiazepin-3-yl]-3-phenylurea Traditional Name: 1-[5-(1-adamantylmethyl)-2,4-diketo-1-methyl-1,5-benzodiazepin-3-yl]-3-phenyl-urea Formula: C28H32N4O3 MolecularWeight: 472.57868

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C(=O)C(C1=O)NC(=O)NC3=CC=CC=C3)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN1C2=CC=CC=C2N(C(=O)C(C1=O)NC(=O)NC3=CC=CC=C3)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H32N4O3/c1-31-22-9-5-6-10-23(22)32(17-28-14-18-11-19(15-28)13-20(12-18)16-28)26(34)24(25(31)33)30-27(35)29-21-7-3-2-4-8-21/h2-10,18-20,24H,11-17H2,1H3,(H2,29,30,35)