56593034 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 8 8 7 7 7 7 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 2 2 3 3 3 4 4 4 5 6 7 7 7 7 8 8 8 9 9 10 10 12 12 13 13 14 14 14 15 15 16 17 18 18 19 20 20 21 21 22 23 24 24 24 11 22 24 9 10 11 5 6 11 12 17 8 9 25 26 10 27 28 29 30 31 32 13 17 16 18 15 16 20 19 21 33 34 19 35 36 23 37 22 38 23 39 40 41 42 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 2 1 1 2 1 2 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 5.165 11.3288 3.5827 4.9839 5.9621 4.4839 2 2.1045 2.9136 3.0827 4.5772 6.0666 6.9326 8.6647 8.6647 7.7987 5.1531 6.9326 7.7987 9.5586 9.5586 10.4647 10.4647 12.1967 1.8084 1.3936 1.4845 2.0397 3.4151 2.6035 2.8911 3.6491 7.7987 5.0242 6.3957 7.7987 9.5515 9.5515 11.0004 11.8888 12.7349 12.5047 -2.3991 2.5501 -1.6946 -0.6765 -0.4686 0.1895 -1.3582 -2.3527 -0.9514 -2.5606 -1.59 0.5259 1.0259 1.0259 2.0259 0.5259 0.9327 2.0259 2.5259 0.4913 2.5606 2.0468 1.0051 2.0534 -0.7685 -1.4871 -2.3527 -2.9693 -0.587 -0.4145 -3.1503 -2.8128 -0.0941 1.5391 2.3359 3.1459 -0.1287 3.1806 0.6931 1.5153 1.7455 2.5915 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 6 12 13 13 14 14 14 15 15 18 20 21 22 5 6 12 17 17 16 18 15 16 20 19 21 19 23 22 23 0 Compound Canonicalized 5 2012.01.05 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 454 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB000000000000000000000000000000162C00000306000000000000000C1D400001E00080000000C0CC19E063F86D3000400AA0334675000920C0420B2001E98203E7C988C66A284B11B84302064CE1388E80790C0F00EE000030000100000C000060000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [4-(6-methoxy-2-naphthyl)triazol-2-yl]-pyrrolidin-1-yl-methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [4-(6-methoxy-2-naphthalenyl)-2-triazolyl]-(1-pyrrolidinyl)methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [4-(6-methoxynaphthalen-2-yl)triazol-2-yl]-pyrrolidin-1-ylmethanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [4-(6-methoxynaphthalen-2-yl)triazol-2-yl]-pyrrolidin-1-ylmethanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [4-(6-methoxynaphthalen-2-yl)-1,2,3-triazol-2-yl]-pyrrolidin-1-yl-methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [4-(6-methoxy-2-naphthyl)triazol-2-yl]-pyrrolidino-methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H18N4O2/c1-24-16-7-6-13-10-15(5-4-14(13)11-16)17-12-19-22(20-17)18(23)21-8-2-3-9-21/h4-7,10-12H,2-3,8-9H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 SITPMNUWCIMUMC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 322.14297583 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H18N4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 322.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC2=C(C=C1)C=C(C=C2)C3=NN(N=C3)C(=O)N4CCCC4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC2=C(C=C1)C=C(C=C2)C3=NN(N=C3)C(=O)N4CCCC4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 60.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 322.14297583 24 0 0 0 0 0 0 0 1 -1