[(1S,3R)-3-[(4-methoxy-3-methyl-phenyl)methylamino]-1-propan-2-yl-cyclopentyl]-[4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone

Systemtic Name: [(1S,3R)-3-[(4-methoxy-3-methyl-phenyl)methylamino]-1-propan-2-yl-cyclopentyl]-[4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone Openeye Name: [(1S,3R)-1-isopropyl-3-[(4-methoxy-3-methyl-phenyl)methylamino]cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methanone CAS Name: [(1S,3R)-3-[(4-methoxy-3-methylphenyl)methylamino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methanone IUPAC Name: [(1S,3R)-3-[(4-methoxy-3-methylphenyl)methylamino]-1-propan-2-ylcyclopentyl]-[4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone Traditional Name: [(1S,3R)-1-isopropyl-3-[(4-methoxy-3-methyl-benzyl)amino]cyclopentyl]-[4-[4-(trifluoromethyl)-2-pyridyl]piperazino]methanone Formula: C28H37F3N4O2 MolecularWeight: 518.61419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC2CCC(C2)(C(C)C)C(=O)N3CCN(CC3)C4=NC=CC(=C4)C(F)(F)F)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN[C@@H]2CC[C@](C2)(C(C)C)C(=O)N3CCN(CC3)C4=NC=CC(=C4)C(F)(F)F)OC

InChI

InChI=1S/C28H37F3N4O2/c1-19(2)27(9-7-23(17-27)33-18-21-5-6-24(37-4)20(3)15-21)26(36)35-13-11-34(12-14-35)25-16-22(8-10-32-25)28(29,30)31/h5-6,8,10,15-16,19,23,33H,7,9,11-14,17-18H2,1-4H3/t23-,27+/m1/s1