53058371 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 56 57 8 8 8 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 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 2 3 4 4 4 5 5 6 6 6 7 7 8 8 8 9 10 11 11 12 12 12 13 14 14 15 16 18 18 18 19 19 20 20 21 21 21 22 22 23 24 24 25 25 26 26 27 28 28 29 29 30 31 31 31 32 32 32 10 23 31 17 7 8 10 9 15 17 18 42 9 11 14 33 34 13 15 16 35 13 16 17 36 19 20 21 37 22 38 39 24 40 25 41 43 44 45 23 26 28 27 46 27 47 29 48 49 30 50 30 51 52 32 53 54 55 56 57 2 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 2 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 49 50 51 52 53 54 55 56 57 11.5981 4.5961 6.3397 9.866 9.866 5.4679 9 9.866 9 10.732 8.106 7.2 8.106 10.732 10.732 7.2 6.3359 4.6038 10.732 11.5981 11.5981 3.7359 3.732 11.5981 12.4641 2.8718 12.4641 2.8641 2.0038 2 4.5923 3.7243 9.2554 9.654 8.1132 8.1132 6.6642 5.0042 4.2071 10.1951 11.5981 5.4655 11.9081 12.135 11.2881 11.5981 13.001 2.8742 13.001 2.8617 1.4681 1.4619 4.8021 5.2033 3.4164 3.1862 4.0323 -0.0121 0.0188 3.0121 -0.0121 1.9879 1.5154 0.4879 -1.0121 1.4879 0.4879 -0.0467 1.5087 2.0226 -1.5121 1.4879 0.4671 2.0121 2.0188 -2.5121 -1.0121 1.9879 1.5221 0.5221 -3.0121 -1.5121 2.0254 -2.5121 0.0254 1.5288 0.5288 -0.9812 -1.4779 -0.9044 -1.5947 -0.6667 2.6426 0.155 2.4922 2.4952 -2.8221 -0.3921 0.8954 1.451 2.2979 2.5249 -3.6321 -1.2021 2.6454 -2.8221 -0.5946 1.8408 0.2209 -1.5647 -0.8759 -0.9398 -1.7858 -2.016 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 7 7 9 10 11 12 12 14 14 19 20 22 22 23 24 25 26 28 29 7 10 9 15 9 11 13 15 16 13 16 19 20 24 25 23 26 28 27 27 29 30 30 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 688 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000000000000000000000000000000000000003060C1000000000000815000001E00100000000C0CE1980632C683C00400A803257254008208002522000888811E7CC80C6632C4B59B963928E6C611C8E9879CC9209E08000040000800201000008000100040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-benzyl-N-[(2-ethoxyphenyl)methyl]-3-methyl-2-oxo-quinoxaline-6-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2-ethoxyphenyl)methyl]-3-methyl-2-oxo-1-(phenylmethyl)-6-quinoxalinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-benzyl-<I>N</I>-[(2-ethoxyphenyl)methyl]-3-methyl-2-oxoquinoxaline-6-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-benzyl-N-[(2-ethoxyphenyl)methyl]-3-methyl-2-oxoquinoxaline-6-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(2-ethoxyphenyl)methyl]-3-methyl-2-oxidanylidene-1-(phenylmethyl)quinoxaline-6-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-benzyl-N-(2-ethoxybenzyl)-2-keto-3-methyl-quinoxaline-6-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C26H25N3O3/c1-3-32-24-12-8-7-11-21(24)16-27-25(30)20-13-14-23-22(15-20)28-18(2)26(31)29(23)17-19-9-5-4-6-10-19/h4-15H,3,16-17H2,1-2H3,(H,27,30) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KYVYUCVANMADAN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 427.18959167 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C26H25N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 427.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)N(C(=O)C(=N3)C)CC4=CC=CC=C4 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)N(C(=O)C(=N3)C)CC4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 71 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 427.18959167 32 0 0 0 0 0 0 0 1 -1