128919 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 9 9 9 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 10 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 22 22 23 24 24 25 25 27 27 28 26 26 26 5 7 8 6 29 30 9 31 32 10 33 34 11 35 36 11 12 13 37 38 39 15 17 14 16 18 40 20 41 21 42 22 43 19 24 21 25 23 26 44 23 45 46 27 47 28 48 28 49 50 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 2 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 3.366 2 2.366 8.0622 7.1962 6.3301 8.9282 8.0622 6.3301 9.7942 7.1962 5.4641 10.6603 11.5263 4.5981 10.6603 5.4641 12.3923 12.3923 3.732 11.5263 4.5981 3.732 13.2862 13.2862 2.866 14.1923 14.1923 7.5947 6.7976 6.1181 5.7196 9.3267 8.5297 8.2742 8.6728 9.3957 10.1928 7.1962 11.5263 4.5981 10.1233 6.001 11.5263 4.5981 3.1951 13.2791 13.2791 14.7281 14.7281 0.3487 -0.0173 -1.3834 0.4827 0.9827 0.4827 0.9827 -0.5173 -0.5173 0.4827 -1.0173 -1.0173 0.9827 0.4827 -0.5173 1.9827 -2.0173 0.9827 1.9827 -1.0173 2.4827 -2.5173 -2.0173 0.448 2.5173 -0.5173 0.9619 2.0035 1.4576 1.4576 1.0653 0.375 1.4576 1.4576 -1.0999 -0.4097 0.0077 0.0077 -1.6373 -0.1373 0.1027 2.2927 -2.3273 3.1027 -3.1373 -2.3273 -0.172 3.1373 0.6498 2.3156 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 12 12 13 13 14 15 16 17 18 18 19 19 20 22 24 25 27 15 17 14 16 18 20 21 22 19 24 21 25 23 23 27 28 28 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 541 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A01800000000000000000000000000000000000003060C1000000000000C15400001D00000000000C00C118143000C30000008002204200008200002000000888000800880820228091118420002080008888071080C00EC0000200001000008000040000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[2-(2-naphthyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[2-(2-naphthalenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(2-naphthalen-2-ylethyl)-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2<I>H</I>-pyridine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(2-naphthalen-2-ylethyl)-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(2-naphthalen-2-ylethyl)-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[2-(2-naphthyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C24H22F3N/c25-24(26,27)23-7-3-6-22(17-23)20-11-14-28(15-12-20)13-10-18-8-9-19-4-1-2-5-21(19)16-18/h1-9,11,16-17H,10,12-15H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WJJYZXPHLSLMGE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 6.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 381.17043419 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C24H22F3N Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 381.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CN(CC=C1C2=CC(=CC=C2)C(F)(F)F)CCC3=CC4=CC=CC=C4C=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CN(CC=C1C2=CC(=CC=C2)C(F)(F)F)CCC3=CC4=CC=CC=C4C=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 381.17043419 28 0 0 0 0 0 0 0 1 -1