(phenylmethyl) N-[(3R)-5-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(3R)-5-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[(3R)-5-cyclohexyl-1-(2-morpholinoethyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[(3R)-5-cyclohexyl-1-[2-(4-morpholinyl)ethyl]-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(3R)-5-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[(3R)-5-cyclohexyl-2-keto-1-(2-morpholinoethyl)-3H-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C29H36N4O4 MolecularWeight: 504.62054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(C(=O)N(C3=CC=CC=C32)CCN4CCOCC4)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=N[C@H](C(=O)N(C3=CC=CC=C32)CCN4CCOCC4)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C29H36N4O4/c34-28-27(31-29(35)37-21-22-9-3-1-4-10-22)30-26(23-11-5-2-6-12-23)24-13-7-8-14-25(24)33(28)16-15-32-17-19-36-20-18-32/h1,3-4,7-10,13-14,23,27H,2,5-6,11-12,15-21H2,(H,31,35)/t27-/m0/s1