(4R,5aR,9aR)-5-(3-pyrimidin-2-ylpropanoyl)-4-[2-(trifluoromethyloxy)phenyl]-1,2,4,5a,6,7,8,9,9a,10-decahydropyrrolo[3,4-c][1,5]benzodiazepin-3-one

Systemtic Name: (4R,5aR,9aR)-5-(3-pyrimidin-2-ylpropanoyl)-4-[2-(trifluoromethyloxy)phenyl]-1,2,4,5a,6,7,8,9,9a,10-decahydropyrrolo[3,4-c][1,5]benzodiazepin-3-one Openeye Name: (4R,5aR,9aR)-5-(3-pyrimidin-2-ylpropanoyl)-4-[2-(trifluoromethoxy)phenyl]-1,2,4,5a,6,7,8,9,9a,10-decahydropyrrolo[3,4-c][1,5]benzodiazepin-3-one CAS Name: (4R,5aR,9aR)-5-[1-oxo-3-(2-pyrimidinyl)propyl]-4-[2-(trifluoromethoxy)phenyl]-1,2,4,5a,6,7,8,9,9a,10-decahydropyrrolo[3,4-c][1,5]benzodiazepin-3-one IUPAC Name: (4R,5aR,9aR)-5-(3-pyrimidin-2-ylpropanoyl)-4-[2-(trifluoromethoxy)phenyl]-1,2,4,5a,6,7,8,9,9a,10-decahydropyrrolo[3,4-c][1,5]benzodiazepin-3-one Traditional Name: (4R,5aR,9aR)-5-[3-(2-pyrimidyl)propanoyl]-4-[2-(trifluoromethoxy)phenyl]-1,2,4,5a,6,7,8,9,9a,10-decahydropyrrolo[3,4-c][1,5]benzodiazepin-3-one Formula: C25H26F3N5O3 MolecularWeight: 501.50085

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)NC3=C(C(N2C(=O)CCC4=NC=CC=N4)C5=CC=CC=C5OC(F)(F)F)C(=O)NC3

Isomeric SMILES

C1CC[C@@H]2[C@@H](C1)NC3=C([C@H](N2C(=O)CCC4=NC=CC=N4)C5=CC=CC=C5OC(F)(F)F)C(=O)NC3

InChI

InChI=1S/C25H26F3N5O3/c26-25(27,28)36-19-9-4-1-6-15(19)23-22-17(14-31-24(22)35)32-16-7-2-3-8-18(16)33(23)21(34)11-10-20-29-12-5-13-30-20/h1,4-6,9,12-13,16,18,23,32H,2-3,7-8,10-11,14H2,(H,31,35)/t16-,18-,23-/m1/s1