24881464 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 8 8 7 7 7 7 7 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 2 3 3 4 4 4 5 5 5 6 6 7 8 9 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 17 17 18 18 18 19 20 20 21 21 22 23 24 24 25 26 26 27 27 28 28 29 29 30 15 16 6 55 15 17 43 7 19 24 16 48 8 25 10 11 31 32 12 33 34 13 35 36 14 37 38 15 39 40 16 41 42 20 21 19 22 23 25 22 44 23 45 46 47 26 27 49 28 50 29 51 30 52 30 53 54 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 2 1 1 1 2 1 1 1 1 2 1 2 1 1 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 7.3942 8.2603 9.9923 5.6622 4.8532 9.9923 5.1622 6.1622 7.3942 8.2603 7.3942 8.2603 6.5282 9.1263 6.5282 9.1263 5.6622 5.6622 5.6622 4.7962 6.5282 4.7962 6.5282 3.9021 6.4712 3.159 3.6942 2.2079 2.7431 2 6.7837 7.1822 8.8708 8.4723 8.0048 7.6063 7.6497 8.0482 5.9176 6.3162 9.7369 9.3383 5.1252 4.2592 7.0652 4.2592 7.0652 10.5292 7.0609 3.2879 4.155 1.7472 2.6142 1.4103 10.5292 1.1356 -5.3644 -6.3644 1.1356 5.7234 -5.3644 6.6744 6.6744 -1.8644 -2.3644 -0.8644 -3.3644 -0.3644 -3.8644 0.6356 -4.8644 2.1356 4.1356 5.1356 2.6356 2.6356 3.6356 3.6356 5.4144 5.7234 6.0835 4.4362 5.7745 4.1272 4.7963 -1.7568 -2.447 -2.4721 -1.7818 -0.9721 -0.2818 -3.2568 -3.947 -0.2568 -0.947 -3.9721 -3.2818 0.8256 2.3256 2.3256 3.9456 3.9456 -5.0544 5.5318 6.6899 4.0213 6.1893 3.5207 4.6047 -6.6744 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 7 8 17 17 18 18 19 20 21 24 24 26 27 28 29 7 19 8 25 20 21 22 23 25 22 23 26 27 28 29 30 30 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 533 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 10 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BB00000000000000000000000000000016000000030600000000000000001D000001E001C0800000C08C19E043CC092D80000AA03357754008204242192003898213074980860F2C09191942008609400C8C8071888808E08000000000000001000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 8-(hydroxyamino)-8-oxo-N-[4-(3-phenyltriazol-4-yl)phenyl]octanamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-hydroxy-N-[4-(3-phenyl-4-triazolyl)phenyl]octanediamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>&apos;-hydroxy-<I>N</I>-[4-(3-phenyltriazol-4-yl)phenyl]octanediamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-hydroxy-N-[4-(3-phenyltriazol-4-yl)phenyl]octanediamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N'-oxidanyl-N-[4-(3-phenyl-1,2,3-triazol-4-yl)phenyl]octanediamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 8-(hydroxyamino)-8-keto-N-[4-(3-phenyltriazol-4-yl)phenyl]caprylamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H25N5O3/c28-21(10-6-1-2-7-11-22(29)25-30)24-18-14-12-17(13-15-18)20-16-23-26-27(20)19-8-4-3-5-9-19/h3-5,8-9,12-16,30H,1-2,6-7,10-11H2,(H,24,28)(H,25,29) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OSBJPHXXKNVNGT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 407.19573968 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H25N5O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 407.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)N2C(=CN=N2)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NO SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)N2C(=CN=N2)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NO Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 109 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 407.19573968 30 0 0 0 0 0 0 0 1 -1