N-[(2R,3S)-1-[[5-(dimethylaminomethyl)-2-(trifluoromethyloxy)phenyl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-butan-2-yl]-4-(4-fluorophenyl)-3-oxidanylidene-piperazine-1-carboxamide

Systemtic Name: N-[(2R,3S)-1-[[5-(dimethylaminomethyl)-2-(trifluoromethyloxy)phenyl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-butan-2-yl]-4-(4-fluorophenyl)-3-oxidanylidene-piperazine-1-carboxamide Openeye Name: N-[(1R,2S)-1-[[5-(dimethylaminomethyl)-2-(trifluoromethoxy)phenyl]carbamoyl]-2-(1H-indol-3-yl)propyl]-4-(4-fluorophenyl)-3-oxo-piperazine-1-carboxamide CAS Name: N-[(2R,3S)-1-[5-(dimethylaminomethyl)-2-(trifluoromethoxy)anilino]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-4-(4-fluorophenyl)-3-oxo-1-piperazinecarboxamide IUPAC Name: N-[(2R,3S)-1-[5-(dimethylaminomethyl)-2-(trifluoromethoxy)anilino]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-4-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide Traditional Name: N-[(1R,2S)-1-[[5-(dimethylaminomethyl)-2-(trifluoromethoxy)phenyl]carbamoyl]-2-(1H-indol-3-yl)propyl]-4-(4-fluorophenyl)-3-keto-piperazine-1-carboxamide Formula: C33H34F4N6O4 MolecularWeight: 654.654473

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CNC2=CC=CC=C21)C(C(=O)NC3=C(C=CC(=C3)CN(C)C)OC(F)(F)F)NC(=O)N4CCN(C(=O)C4)C5=CC=C(C=C5)F

Isomeric SMILES

C[C@@H](C1=CNC2=CC=CC=C21)[C@H](C(=O)NC3=C(C=CC(=C3)CN(C)C)OC(F)(F)F)NC(=O)N4CCN(C(=O)C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C33H34F4N6O4/c1-20(25-17-38-26-7-5-4-6-24(25)26)30(31(45)39-27-16-21(18-41(2)3)8-13-28(27)47-33(35,36)37)40-32(46)42-14-15-43(29(44)19-42)23-11-9-22(34)10-12-23/h4-13,16-17,20,30,38H,14-15,18-19H2,1-3H3,(H,39,45)(H,40,46)/t20-,30+/m0/s1