1-(5-cyclohexyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-3-[3-(5-oxidanylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]urea

Systemtic Name: 1-(5-cyclohexyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-3-[3-(5-oxidanylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]urea Openeye Name: 1-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-[3-(5-oxo-2H-1,2,4-oxadiazol-3-yl)phenyl]urea CAS Name: 1-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-[3-(5-oxo-2H-1,2,4-oxadiazol-3-yl)phenyl]urea IUPAC Name: 1-(5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-[3-(5-oxo-2H-1,2,4-oxadiazol-3-yl)phenyl]urea Traditional Name: 1-(5-cyclohexyl-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl)-3-[3-(5-keto-2H-1,2,4-oxadiazol-3-yl)phenyl]urea Formula: C25H26N6O4 MolecularWeight: 474.51174

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C4=NC(=O)ON4)C5CCCCC5

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C4=NC(=O)ON4)C5CCCCC5

InChI

InChI=1S/C25H26N6O4/c1-31-19-13-6-5-12-18(19)20(15-8-3-2-4-9-15)27-22(23(31)32)28-24(33)26-17-11-7-10-16(14-17)21-29-25(34)35-30-21/h5-7,10-15,22H,2-4,8-9H2,1H3,(H2,26,28,33)(H,29,30,34)