(2S)-2-[[4-azanyl-3-chloranyl-5-(trifluoromethyl)phenyl]methyl]-1-[4-(4-methyloxan-4-yl)piperazin-1-yl]-4-[4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]butane-1,4-dione

Systemtic Name: (2S)-2-[[4-azanyl-3-chloranyl-5-(trifluoromethyl)phenyl]methyl]-1-[4-(4-methyloxan-4-yl)piperazin-1-yl]-4-[4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]butane-1,4-dione Openeye Name: (2S)-2-[[4-amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-1-[4-(4-methyltetrahydropyran-4-yl)piperazin-1-yl]-4-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidyl]butane-1,4-dione CAS Name: (2S)-2-[[4-amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-1-[4-(4-methyl-4-oxanyl)-1-piperazinyl]-4-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidinyl]butane-1,4-dione IUPAC Name: (2S)-2-[[4-amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-1-[4-(4-methyloxan-4-yl)piperazin-1-yl]-4-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]butane-1,4-dione Traditional Name: (2S)-2-[4-amino-3-chloro-5-(trifluoromethyl)benzyl]-4-[4-(2-keto-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidino]-1-[4-(4-methyltetrahydropyran-4-yl)piperazino]butane-1,4-dione Formula: C36H46ClF3N6O4 MolecularWeight: 719.23645

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCOCC1)N2CCN(CC2)C(=O)C(CC3=CC(=C(C(=C3)Cl)N)C(F)(F)F)CC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O

Isomeric SMILES

CC1(CCOCC1)N2CCN(CC2)C(=O)[C@@H](CC3=CC(=C(C(=C3)Cl)N)C(F)(F)F)CC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O

InChI

InChI=1S/C36H46ClF3N6O4/c1-35(9-18-50-19-10-35)45-16-14-44(15-17-45)33(48)26(20-24-21-28(36(38,39)40)32(41)29(37)22-24)23-31(47)43-11-7-27(8-12-43)46-13-6-25-4-2-3-5-30(25)42-34(46)49/h2-5,21-22,26-27H,6-20,23,41H2,1H3,(H,42,49)/t26-/m0/s1