69593164 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 7 7 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 1 1 1 2 2 3 3 3 4 4 4 4 5 5 5 6 6 6 6 7 7 7 8 9 9 9 10 10 11 11 11 12 12 12 13 13 14 15 16 16 16 17 17 17 18 18 19 21 21 21 22 22 22 20 8 14 13 20 44 5 8 23 24 9 25 26 7 10 27 28 11 29 30 12 16 31 32 15 18 17 33 34 20 35 36 14 15 19 37 21 38 39 22 40 41 19 42 43 45 46 47 48 49 50 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 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 5.2246 6.8231 6.8231 5.2246 4.2358 10.269 11.1369 5.8481 3.6123 9.4049 12.001 5.4142 7.6049 7.6049 8.4988 2.6235 12.869 9.4049 8.4988 5.8481 2 13.7331 5.0272 5.7691 4.4333 3.6913 10.6657 9.8686 10.7402 11.5373 3.4149 4.1568 12.3977 11.6007 4.9295 4.9295 8.4917 2.821 2.079 12.4723 13.2693 9.9406 8.4917 6.961 1.5153 1.6134 2.4847 14.0451 14.2688 13.421 2.293 -0.5133 1.7337 -1.0726 -0.9235 1.6344 1.1377 -0.2908 -1.7054 1.131 1.641 0.6102 1.1102 0.1102 1.6449 -1.5563 1.1444 0.0894 -0.4244 1.5112 -2.3382 1.6477 -1.6603 -1.3691 -0.3358 -0.627 2.1108 2.1078 0.6612 0.6643 -2.2931 -2.0019 2.1175 2.1144 0.9968 0.2237 2.2648 -0.9686 -1.2598 0.6679 0.671 -0.2227 -1.0444 2.3382 -1.9516 -2.8229 -2.7247 1.112 1.9598 2.1835 8 8 8 8 8 8 10 10 13 13 14 18 15 18 14 15 19 19 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 378 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 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 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B2000000000000000000000000000000000000000300000000400000000010000001E00100000000C0881980032C082C00000A80325725400820000210200088801307488086032C09191942008609400C8C8071888C08E08000040000000201000008000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4,8-dipentyl-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4,8-dipentyl-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4,8-dipentyl-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4,8-dipentyl-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4,8-dipentyl-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4,8-diamyl-1,3-dihydro-1,5-benzodiazepin-2-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H28N2O/c1-3-5-7-9-15-11-12-17-18(13-15)21-19(22)14-16(20-17)10-8-6-4-2/h11-13H,3-10,14H2,1-2H3,(H,21,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 JVXCMXFOQOJTBB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 300.220163521 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H28N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 300.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCCCC1=NC2=C(C=C(C=C2)CCCCC)NC(=O)C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCCCC1=NC2=C(C=C(C=C2)CCCCC)NC(=O)C1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 41.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 300.220163521 22 0 0 0 0 0 0 0 1 -1