56603833 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 8 8 7 7 7 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 1 1 2 3 3 3 4 4 4 5 6 7 7 7 8 8 9 9 10 11 12 12 13 13 14 14 15 15 17 17 17 18 18 18 19 19 20 20 21 21 22 22 23 24 25 25 25 26 26 26 7 32 16 5 6 16 16 17 18 10 11 8 9 10 12 14 13 15 11 27 19 28 20 29 21 30 22 31 25 33 34 26 35 36 23 37 24 38 23 39 24 40 41 42 43 44 45 46 47 48 1 1 2 1 1 1 1 1 1 2 2 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 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 2.31 5.3923 3.81 3.991 4.119 2.81 3.31 3.31 4.31 3.31 2.501 2.444 4.81 4.176 4.81 4.3978 4.5788 2.9965 2.444 5.81 4.176 5.81 3.31 6.31 4.1721 2.5898 1.9113 1.907 4.5 4.713 4.5 2 5.0095 5.0928 2.3949 3.0398 1.907 6.12 4.713 6.12 3.31 6.93 4.7385 3.9199 3.6057 3.1562 2.3376 2.0234 -1.492 1.7514 1.0469 2.7694 0.0958 1.0469 -1.492 -2.492 -1.492 -0.492 0.0958 -2.992 -0.626 -2.992 -2.358 1.8559 3.5784 2.8739 -3.992 -0.626 -3.992 -2.358 -4.492 -1.492 4.492 3.7875 -0.0958 -2.682 -0.089 -2.682 -2.8949 -0.955 3.1324 3.9251 2.724 2.2555 -4.302 -0.089 -4.302 -2.8949 -5.112 -1.492 4.7442 5.0584 4.2398 4.0397 4.3539 3.5353 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 5 6 8 8 9 9 10 12 13 14 15 19 20 21 22 5 6 10 11 12 14 13 15 11 19 20 21 22 23 24 23 24 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 439 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB00000000000000000000000000000016000000030600000000000000001D000001E00080800000C4CC19E043F8093000200AA03346750041204042092001E98003878888A662280911180700026CE0388D80790C0E00E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,N-diethyl-4-[hydroxy(diphenyl)methyl]triazole-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,N-diethyl-4-[hydroxy(diphenyl)methyl]-2-triazolecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>,<I>N</I>-diethyl-4-[hydroxy(diphenyl)methyl]triazole-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,N-diethyl-4-[hydroxy(diphenyl)methyl]triazole-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,N-diethyl-4-[oxidanyl(diphenyl)methyl]-1,2,3-triazole-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,N-diethyl-4-[hydroxy(diphenyl)methyl]triazole-2-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H22N4O2/c1-3-23(4-2)19(25)24-21-15-18(22-24)20(26,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,26H,3-4H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 OIXDKEGWHIJUDD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.17427596 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H22N4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCN(CC)C(=O)N1N=CC(=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCN(CC)C(=O)N1N=CC(=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 71.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.17427596 26 0 0 0 0 0 0 0 1 -1