9971539 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 8 7 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 2 2 2 3 3 3 3 4 4 5 5 5 6 6 6 7 7 7 8 9 9 10 11 11 11 13 13 14 14 14 15 15 16 16 17 17 18 18 19 20 20 21 21 22 12 4 8 9 4 5 23 24 25 26 6 27 28 14 29 30 8 10 12 31 10 32 33 12 13 16 15 17 34 35 36 18 20 19 37 21 38 19 39 40 22 41 22 42 43 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 2 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 8.024 5.2092 3.808 4.8025 3.4013 2.4067 6.2919 6.1874 4.7092 5.3784 7.158 7.158 8.024 2 8.024 6.2919 8.9179 7.158 6.2919 8.9179 9.824 9.824 3.8512 3.2064 4.7593 5.4041 3.358 4.0028 2.45 1.8052 6.6482 4.0926 5.2495 1.4336 1.7478 2.5664 5.755 8.9108 7.158 5.755 8.9108 10.3597 10.3597 0.3087 -0.8937 -1.9118 -1.8072 -2.8253 -2.9298 0.3087 -0.6858 -0.0277 0.7155 1.8087 0.8087 2.3087 -3.8434 3.3087 2.3087 1.7741 3.8087 3.3087 3.8434 2.2879 3.3296 -1.2933 -1.7618 -2.4257 -1.9572 -3.4438 -2.9753 -2.3114 -2.7799 -1.1006 0.0371 1.3219 -3.5912 -4.4098 -4.0956 1.9987 1.1541 4.4287 3.6187 4.4634 1.9758 3.6416 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 7 7 9 11 11 13 13 15 15 16 17 18 20 21 8 9 8 10 10 13 16 15 17 18 20 19 21 19 22 22 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 367 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 00000371E07A2000000000000000000000000000000160000000306000000000000000C1D400001E00000000000C04C19A043E80D30C1000A802B077440082802035022008D8213864D80820FAC09591842188608000C8C9C71C88C08E80000200001000000000040000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-naphthyl-(1-pentylpyrrol-3-yl)methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-naphthalenyl-(1-pentyl-3-pyrrolyl)methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 naphthalen-1-yl-(1-pentylpyrrol-3-yl)methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 naphthalen-1-yl-(1-pentylpyrrol-3-yl)methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 naphthalen-1-yl-(1-pentylpyrrol-3-yl)methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1-amylpyrrol-3-yl)-(1-naphthyl)methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H21NO/c1-2-3-6-13-21-14-12-17(15-21)20(22)19-11-7-9-16-8-4-5-10-18(16)19/h4-5,7-12,14-15H,2-3,6,13H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VPBJQDBKZSHCPC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 291.162314293 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H21NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 291.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCN1C=CC(=C1)C(=O)C2=CC=CC3=CC=CC=C32 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCCCN1C=CC(=C1)C(=O)C2=CC=CC3=CC=CC=C32 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 2021.10.14 291.162314293 22 0 0 0 0 0 0 0 1 1