392702 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 8 8 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 1 2 2 3 3 4 4 5 5 5 6 6 6 6 7 7 7 8 8 9 9 10 10 10 11 12 12 13 14 14 15 15 16 16 17 17 18 20 22 22 22 23 23 23 24 24 24 25 25 25 18 22 19 23 20 24 21 25 7 8 32 8 9 12 26 10 11 27 28 29 11 14 13 30 31 15 13 16 17 18 33 19 34 20 35 21 36 19 21 37 38 39 40 41 42 43 44 45 46 47 48 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 2 1 2 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 6 8 9 12 26 3 1 7 5 10 11 27 3 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 10.6378 11.168 4.525 2.8269 6.6894 6.8012 7.06 5.8234 8.2002 5.0268 8.459 5.5802 4.7512 8.9253 9.4608 5.5236 3.808 9.9334 10.203 4.5909 3.7274 10.3753 11.4231 5.3562 2 7.2066 6.5399 5.5187 5.2805 5.0218 4.4125 6.8499 8.7579 9.6144 6.0416 3.2981 9.777 10.2125 10.9735 12.0225 11.5812 10.8236 5.0115 5.8715 5.7009 2.3487 1.4873 1.6513 -1.1997 0.7789 -2.8624 -1.717 2.8195 0.505 1.4709 2.3195 -0.0038 1.1598 0.9621 -0.3607 0.1985 -0.7517 1.2472 -1.4008 -0.2436 -0.4898 0.5163 -1.8646 -1.2821 -2.1646 1.7458 -3.4184 -1.1546 0.9741 1.8083 2.8595 2.0201 1.7798 1.2436 3.4184 -1.3486 1.8478 -1.7415 0.109 -2.0018 -2.7628 -2.3274 1.5876 2.3453 1.9039 -3.9338 -3.7631 -2.9031 -0.642 -0.806 -1.6673 3 3 8 8 8 8 8 8 8 8 8 8 8 8 6 7 9 9 11 12 12 13 14 15 16 17 18 20 8 10 11 14 15 13 16 17 18 19 20 21 19 21 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 461 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07A38000000000000000000000000000000000000003C6080000788000000B14000001E00100000000D2CC19806320682C004008002204200008208002020000088800E8C880D262284B11B84302A64D0118AA807B0D0F30EA0000100001040004000020000208000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4,5,12,13-tetramethoxy-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4,5,12,13-tetramethoxy-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4,5,12,13-tetramethoxy-17-azatetracyclo[7.6.2.0<SUP>2,7</SUP>.0<SUP>10,15</SUP>]heptadeca-2,4,6,10,12,14-hexaene IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4,5,12,13-tetramethoxy-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4,5,12,13-tetramethoxy-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4,5,12,13-tetramethoxy-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H23NO4/c1-22-17-6-11-5-16-14-9-20(25-4)19(24-3)8-13(14)15(10-21-16)12(11)7-18(17)23-2/h6-9,15-16,21H,5,10H2,1-4H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ZNIIISXAGSAJQE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 341.16270821 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H23NO4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 341.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=C(C=C2C3CNC(CC2=C1)C4=CC(=C(C=C34)OC)OC)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=C(C=C2C3CNC(CC2=C1)C4=CC(=C(C=C34)OC)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 49 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 341.16270821 25 2 0 2 0 0 0 0 1 -1