N-[(2R)-3-[4-azanyl-3-chloranyl-5-(trifluoromethyl)phenyl]-1-[4-(oxan-4-yl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxamide

Systemtic Name: N-[(2R)-3-[4-azanyl-3-chloranyl-5-(trifluoromethyl)phenyl]-1-[4-(oxan-4-yl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]-4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxamide Openeye Name: N-[(1R)-1-[[4-amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-oxo-2-(4-tetrahydropyran-4-ylpiperazin-1-yl)ethyl]-4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxamide CAS Name: N-[(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-(4-oxanyl)-1-piperazinyl]-1-oxopropan-2-yl]-4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidinecarboxamide IUPAC Name: N-[(2R)-3-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-1-[4-(oxan-4-yl)piperazin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxamide Traditional Name: N-[(1R)-1-[4-amino-3-chloro-5-(trifluoromethyl)benzyl]-2-keto-2-(4-tetrahydropyran-4-ylpiperazino)ethyl]-4-(2-keto-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxamide Formula: C34H43ClF3N7O4 MolecularWeight: 706.19793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCC3=CC=CC=C3NC2=O)C(=O)NC(CC4=CC(=C(C(=C4)Cl)N)C(F)(F)F)C(=O)N5CCN(CC5)C6CCOCC6

Isomeric SMILES

C1CN(CCC1N2CCC3=CC=CC=C3NC2=O)C(=O)N[C@H](CC4=CC(=C(C(=C4)Cl)N)C(F)(F)F)C(=O)N5CCN(CC5)C6CCOCC6

InChI

InChI=1S/C34H43ClF3N7O4/c35-27-20-22(19-26(30(27)39)34(36,37)38)21-29(31(46)43-15-13-42(14-16-43)24-8-17-49-18-9-24)41-32(47)44-10-6-25(7-11-44)45-12-5-23-3-1-2-4-28(23)40-33(45)48/h1-4,19-20,24-25,29H,5-18,21,39H2,(H,40,48)(H,41,47)/t29-/m1/s1