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

Systemtic Name: 1-(1-adamantyl)-3-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea Openeye Name: 1-(1-adamantyl)-3-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea CAS Name: 1-(1-adamantyl)-3-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea IUPAC Name: 1-(1-adamantyl)-3-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)urea Traditional Name: 1-(1-adamantyl)-3-(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)NC(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

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