[(2R)-3-[4-azanyl-3-chloranyl-5-(trifluoromethyl)phenyl]-1-(4-morpholin-4-ylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate

Systemtic Name: [(2R)-3-[4-azanyl-3-chloranyl-5-(trifluoromethyl)phenyl]-1-(4-morpholin-4-ylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate Openeye Name: [(1R)-1-[[4-amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-(4-morpholino-1-piperidyl)-2-oxo-ethyl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate CAS Name: 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidinecarboxylic acid [(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-(4-morpholinyl)-1-piperidinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-(4-morpholin-4-ylpiperidin-1-yl)-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate Traditional Name: 4-(2-keto-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylic acid [(1R)-1-[4-amino-3-chloro-5-(trifluoromethyl)benzyl]-2-keto-2-(4-morpholinopiperidino)ethyl] ester Formula: C34H42ClF3N6O5 MolecularWeight: 707.18269

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCOCC2)C(=O)C(CC3=CC(=C(C(=C3)Cl)N)C(F)(F)F)OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O

Isomeric SMILES

C1CN(CCC1N2CCOCC2)C(=O)[C@@H](CC3=CC(=C(C(=C3)Cl)N)C(F)(F)F)OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O

InChI

InChI=1S/C34H42ClF3N6O5/c35-27-20-22(19-26(30(27)39)34(36,37)38)21-29(31(45)42-10-6-24(7-11-42)41-15-17-48-18-16-41)49-33(47)43-12-8-25(9-13-43)44-14-5-23-3-1-2-4-28(23)40-32(44)46/h1-4,19-20,24-25,29H,5-18,21,39H2,(H,40,46)/t29-/m1/s1