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

Systemtic Name: 1-[(3R)-5-cyclohexyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]urea Openeye Name: 1-[(3R)-5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-1-[3-(2-morpholinoethoxy)phenyl]urea CAS Name: 1-[(3R)-5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-1-[3-[2-(4-morpholinyl)ethoxy]phenyl]urea IUPAC Name: 1-[(3R)-5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-1-[3-(2-morpholin-4-ylethoxy)phenyl]urea Traditional Name: 1-[(3R)-5-cyclohexyl-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]-1-[3-(2-morpholinoethoxy)phenyl]urea Formula: C29H37N5O4 MolecularWeight: 519.63518

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)N(C3=CC(=CC=C3)OCCN4CCOCC4)C(=O)N)C5CCCCC5

Isomeric SMILES

CN1C2=CC=CC=C2C(=N[C@@H](C1=O)N(C3=CC(=CC=C3)OCCN4CCOCC4)C(=O)N)C5CCCCC5

InChI

InChI=1S/C29H37N5O4/c1-32-25-13-6-5-12-24(25)26(21-8-3-2-4-9-21)31-27(28(32)35)34(29(30)36)22-10-7-11-23(20-22)38-19-16-33-14-17-37-18-15-33/h5-7,10-13,20-21,27H,2-4,8-9,14-19H2,1H3,(H2,30,36)/t27-/m1/s1