1-[8-[(2R)-3-(4-chlorophenyl)-2-(pyridin-2-ylmethylamino)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-cyclohexyl-3,3-diethyl-urea

Systemtic Name: 1-[8-[(2R)-3-(4-chlorophenyl)-2-(pyridin-2-ylmethylamino)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-cyclohexyl-3,3-diethyl-urea Openeye Name: 1-[8-[(2R)-3-(4-chlorophenyl)-2-(2-pyridylmethylamino)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-cyclohexyl-3,3-diethyl-urea CAS Name: 1-[8-[(2R)-3-(4-chlorophenyl)-1-oxo-2-(2-pyridinylmethylamino)propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-cyclohexyl-3,3-diethylurea IUPAC Name: 1-[8-[(2R)-3-(4-chlorophenyl)-2-(pyridin-2-ylmethylamino)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-cyclohexyl-3,3-diethylurea Traditional Name: 1-[8-[(2R)-3-(4-chlorophenyl)-2-(2-pyridylmethylamino)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-cyclohexyl-3,3-diethyl-urea Formula: C33H46ClN5O2 MolecularWeight: 580.20364

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N(C1CCCCC1)C2CC3CCC(C2)N3C(=O)C(CC4=CC=C(C=C4)Cl)NCC5=CC=CC=N5

Isomeric SMILES

CCN(CC)C(=O)N(C1CCCCC1)C2CC3CCC(C2)N3C(=O)[C@@H](CC4=CC=C(C=C4)Cl)NCC5=CC=CC=N5

InChI

InChI=1S/C33H46ClN5O2/c1-3-37(4-2)33(41)39(27-11-6-5-7-12-27)30-21-28-17-18-29(22-30)38(28)32(40)31(20-24-13-15-25(34)16-14-24)36-23-26-10-8-9-19-35-26/h8-10,13-16,19,27-31,36H,3-7,11-12,17-18,20-23H2,1-2H3/t28?,29?,30?,31-/m1/s1