N-[6-[(3R,9aR)-8-ethanoyl-3-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-4-(4-fluoranyl-2-methyl-phenyl)pyridin-3-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-propanamide

Systemtic Name: N-[6-[(3R,9aR)-8-ethanoyl-3-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-4-(4-fluoranyl-2-methyl-phenyl)pyridin-3-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-propanamide Openeye Name: N-[6-[(3R,9aR)-8-acetyl-3-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-4-(4-fluoro-2-methyl-phenyl)-3-pyridyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-propanamide CAS Name: N-[6-[(3R,9aR)-8-acetyl-3-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide IUPAC Name: N-[6-[(3R,9aR)-8-acetyl-3-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-4-(4-fluoro-2-methylphenyl)pyridin-3-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide Traditional Name: N-[6-[(3R,9aR)-8-acetyl-3-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-4-(4-fluoro-2-methyl-phenyl)-3-pyridyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-propionamide Formula: C35H38F7N5O2 MolecularWeight: 693.697342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN2CCN(CC2CN1C3=NC=C(C(=C3)C4=C(C=C(C=C4)F)C)N(C)C(=O)C(C)(C)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C(=O)C

Isomeric SMILES

C[C@@H]1CN2CCN(C[C@H]2CN1C3=NC=C(C(=C3)C4=C(C=C(C=C4)F)C)N(C)C(=O)C(C)(C)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C(=O)C

InChI

InChI=1S/C35H38F7N5O2/c1-20-11-26(36)7-8-28(20)29-15-31(47-19-27-18-45(22(3)48)9-10-46(27)17-21(47)2)43-16-30(29)44(6)32(49)33(4,5)23-12-24(34(37,38)39)14-25(13-23)35(40,41)42/h7-8,11-16,21,27H,9-10,17-19H2,1-6H3/t21-,27+/m1/s1