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

Systemtic Name: (2S)-2-[[4-azanyl-3-chloranyl-5-(trifluoromethyl)phenyl]methyl]-4-[4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-1-[4-(oxolan-3-yl)piperazin-1-yl]butane-1,4-dione Openeye Name: (2S)-2-[[4-amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidyl]-1-(4-tetrahydrofuran-3-ylpiperazin-1-yl)butane-1,4-dione CAS Name: (2S)-2-[[4-amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidinyl]-1-[4-(3-oxolanyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: (2S)-2-[[4-amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-1-[4-(oxolan-3-yl)piperazin-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-tetrahydrofuran-3-ylpiperazino)butane-1,4-dione Formula: C34H42ClF3N6O4 MolecularWeight: 691.18329

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCC3=CC=CC=C3NC2=O)C(=O)CC(CC4=CC(=C(C(=C4)Cl)N)C(F)(F)F)C(=O)N5CCN(CC5)C6CCOC6

Isomeric SMILES

C1CN(CCC1N2CCC3=CC=CC=C3NC2=O)C(=O)C[C@H](CC4=CC(=C(C(=C4)Cl)N)C(F)(F)F)C(=O)N5CCN(CC5)C6CCOC6

InChI

InChI=1S/C34H42ClF3N6O4/c35-28-19-22(18-27(31(28)39)34(36,37)38)17-24(32(46)43-14-12-41(13-15-43)26-8-16-48-21-26)20-30(45)42-9-6-25(7-10-42)44-11-5-23-3-1-2-4-29(23)40-33(44)47/h1-4,18-19,24-26H,5-17,20-21,39H2,(H,40,47)/t24-,26?/m0/s1