1-(2-adamantyl)-1-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea

Systemtic Name: 1-(2-adamantyl)-1-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea Openeye Name: 1-(2-adamantyl)-1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea CAS Name: 1-(2-adamantyl)-1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea IUPAC Name: 1-(2-adamantyl)-1-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea Traditional Name: 1-(2-adamantyl)-1-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea Formula: C27H30N4O2 MolecularWeight: 442.5527

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)N(C3C4CC5CC(C4)CC3C5)C(=O)N)C6=CC=CC=C6

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)N(C3C4CC5CC(C4)CC3C5)C(=O)N)C6=CC=CC=C6

InChI

InChI=1S/C27H30N4O2/c1-30-22-10-6-5-9-21(22)23(18-7-3-2-4-8-18)29-25(26(30)32)31(27(28)33)24-19-12-16-11-17(14-19)15-20(24)13-16/h2-10,16-17,19-20,24-25H,11-15H2,1H3,(H2,28,33)