56603834 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 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 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 4 4 5 5 5 6 7 7 7 8 8 9 9 10 11 11 12 12 13 13 14 14 15 16 16 17 17 18 18 19 19 21 22 23 23 23 24 24 24 25 25 26 26 27 27 28 28 7 34 20 4 10 6 20 20 23 24 15 8 9 10 11 13 12 14 15 16 29 17 30 18 31 19 32 33 21 35 22 36 21 37 22 38 39 40 25 41 42 26 43 44 27 45 28 46 47 48 49 50 1 1 2 1 2 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 2 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 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 49 50 2.7147 5.797 4.5238 4.2147 4.3958 3.2147 3.7147 3.7147 4.7147 3.7147 2.8487 5.2147 4.5808 5.2147 2.9057 2.8487 6.2147 4.5808 6.2147 4.8025 3.7147 6.7147 4.9836 3.4013 4.5768 2.9945 5.1646 2 2.3118 4.9047 5.1177 4.9047 2.3161 2.4047 2.3118 6.5247 5.1177 6.5247 3.7147 7.3347 5.4142 5.4976 2.7997 3.4445 3.9602 3.359 5.7812 4.9124 1.7478 1.6356 -1.8965 1.3468 -0.3087 0.6424 2.3649 0.6424 -1.8965 -2.8965 -1.8965 -0.8965 -3.3965 -2.7625 -3.3965 -1.0305 -0.3087 -4.3965 -2.7625 -4.3965 -1.0305 1.4514 -4.8965 -1.8965 3.1739 2.4694 4.0875 3.383 4.8965 3.4875 -3.0865 -3.2994 -3.0865 -0.4935 -0.5003 -1.3596 -4.7065 -3.2994 -4.7065 -0.4935 -5.5165 -1.8965 2.7279 3.5206 2.3194 1.851 4.1523 3.8846 4.8317 5.4629 4.0539 2.9859 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 6 8 8 9 9 10 11 12 13 14 16 17 18 19 4 10 6 15 11 13 12 14 15 16 17 18 19 21 22 21 22 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 513 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB00000000000000000000000000000016000000030600000000000000001D000001E00080800000C4CC19E043D8093000200AA03346750049204042092001E98003878888A662280911180700026CE0388D80790C0E00E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,N-diallyl-4-[hydroxy(diphenyl)methyl]triazole-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[hydroxy(diphenyl)methyl]-N,N-bis(prop-2-enyl)-2-triazolecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[hydroxy(diphenyl)methyl]-<I>N</I>,<I>N</I>-bis(prop-2-enyl)triazole-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[hydroxy(diphenyl)methyl]-N,N-bis(prop-2-enyl)triazole-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-[oxidanyl(diphenyl)methyl]-N,N-bis(prop-2-enyl)-1,2,3-triazole-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N,N-diallyl-4-[hydroxy(diphenyl)methyl]triazole-2-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H22N4O2/c1-3-15-25(16-4-2)21(27)26-23-17-20(24-26)22(28,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h3-14,17,28H,1-2,15-16H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 KASXPTPMIBRYEN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 374.17427596 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H22N4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 374.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C=CCN(CC=C)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 C=CCN(CC=C)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 2021.05.07 374.17427596 28 0 0 0 0 0 0 0 1 -1