45267820 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 51 52 53 54 55 8 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 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 1 1 1 1 1 2 2 2 3 3 3 4 4 5 5 6 6 7 8 8 8 9 9 9 10 11 11 11 12 12 13 13 14 14 14 15 15 16 16 17 17 18 19 19 20 20 21 21 22 22 22 23 24 24 25 25 26 26 26 27 27 28 10 3 4 5 8 29 30 6 11 7 12 7 10 13 9 31 32 14 33 34 15 35 36 37 17 38 18 39 22 40 41 16 20 19 24 18 42 43 21 25 23 44 23 26 45 46 47 48 27 49 28 50 51 52 53 28 54 55 2 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 2 1 1 2 1 1 1 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 51 52 53 54 55 9.4706 6.1636 5.1695 6.8307 6.6569 7.7385 7.6354 4.5789 3.5847 8.6045 6.6245 6.3463 8.3033 2.9942 8.6045 9.4706 7.0141 7.9926 9.4706 7.7385 8.6045 2 7.7385 10.3645 10.3645 8.6045 11.2706 11.2706 5.3424 4.6132 4.4059 5.1352 3.7577 3.0284 7.2312 6.4966 6.0178 5.7396 8.91 2.8212 3.5505 6.8215 8.4067 7.2016 2.0669 1.3836 1.9331 7.2016 10.3573 10.3573 9.2245 8.6045 7.9845 11.8063 11.8063 -0.8051 -1.137 -1.029 -0.4 -2.0001 -0.8051 -1.7938 -1.836 -1.7281 -0.3051 0.5785 -2.9506 -2.5381 -2.535 0.6949 1.1949 -3.6949 -3.4887 2.1949 1.1949 2.6949 -2.4271 2.1949 0.6602 2.7295 3.6949 1.1741 2.2157 -0.4337 -0.7553 -2.4314 -2.1098 -1.1327 -1.4543 0.7064 1.1852 0.4506 -3.0784 -2.4103 -3.1304 -2.8088 -4.2842 -3.9501 0.8849 -1.8107 -2.3601 -3.0434 2.5049 0.0403 3.3495 3.6949 4.3149 3.6949 0.862 2.5278 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 4 5 5 6 7 12 13 15 15 16 16 17 19 19 20 21 24 25 27 4 5 6 7 12 7 13 17 18 16 20 19 24 18 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 2021.10.14 531 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A20000000000000000000000000000001600000003060C0000000000058C1F400001E00000000000C0CC19E0432C0F30C1000A803A472440082802025022008D8213864D80820FAC09591842188608000C8C9C71C88C08EC0000200001200008000040000240000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-methyl-1-naphthyl)-(2-methyl-1-pentyl-indol-3-yl)methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-methyl-1-naphthalenyl)-(2-methyl-1-pentyl-3-indolyl)methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-methylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-methylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-methylnaphthalen-1-yl)-(2-methyl-1-pentyl-indol-3-yl)methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1-amyl-2-methyl-indol-3-yl)-(4-methyl-1-naphthyl)methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C26H27NO/c1-4-5-10-17-27-19(3)25(23-13-8-9-14-24(23)27)26(28)22-16-15-18(2)20-11-6-7-12-21(20)22/h6-9,11-16H,4-5,10,17H2,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JTJAMXUOXJGSCW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 7.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 369.209264485 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C26H27NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 369.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=C(C4=CC=CC=C43)C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=C(C4=CC=CC=C43)C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 22 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 369.209264485 28 0 0 0 0 0 0 0 1 -1