(4R,5aR,9aR)-4-(2-methoxyphenyl)-5-[3-[2-oxidanylidene-3-(trifluoromethyl)pyridin-1-yl]propanoyl]-1,2,4,5a,6,7,8,9,9a,10-decahydropyrrolo[3,4-c][1,5]benzodiazepin-3-one

Systemtic Name: (4R,5aR,9aR)-4-(2-methoxyphenyl)-5-[3-[2-oxidanylidene-3-(trifluoromethyl)pyridin-1-yl]propanoyl]-1,2,4,5a,6,7,8,9,9a,10-decahydropyrrolo[3,4-c][1,5]benzodiazepin-3-one Openeye Name: (4R,5aR,9aR)-4-(2-methoxyphenyl)-5-[3-[2-oxo-3-(trifluoromethyl)-1-pyridyl]propanoyl]-1,2,4,5a,6,7,8,9,9a,10-decahydropyrrolo[3,4-c][1,5]benzodiazepin-3-one CAS Name: (4R,5aR,9aR)-4-(2-methoxyphenyl)-5-[1-oxo-3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propyl]-1,2,4,5a,6,7,8,9,9a,10-decahydropyrrolo[3,4-c][1,5]benzodiazepin-3-one IUPAC Name: (4R,5aR,9aR)-4-(2-methoxyphenyl)-5-[3-[2-oxo-3-(trifluoromethyl)pyridin-1-yl]propanoyl]-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-keto-3-(trifluoromethyl)-1-pyridyl]propanoyl]-4-(2-methoxyphenyl)-1,2,4,5a,6,7,8,9,9a,10-decahydropyrrolo[3,4-c][1,5]benzodiazepin-3-one Formula: C27H29F3N4O4 MolecularWeight: 530.53877

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2C3=C(CNC3=O)NC4CCCCC4N2C(=O)CCN5C=CC=C(C5=O)C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1[C@@H]2C3=C(CNC3=O)N[C@@H]4CCCC[C@H]4N2C(=O)CCN5C=CC=C(C5=O)C(F)(F)F

InChI

InChI=1S/C27H29F3N4O4/c1-38-21-11-5-2-7-16(21)24-23-19(15-31-25(23)36)32-18-9-3-4-10-20(18)34(24)22(35)12-14-33-13-6-8-17(26(33)37)27(28,29)30/h2,5-8,11,13,18,20,24,32H,3-4,9-10,12,14-15H2,1H3,(H,31,36)/t18-,20-,24-/m1/s1