56928029 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 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 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 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 11 11 12 12 12 13 14 15 15 15 16 16 17 18 19 19 20 20 21 21 22 23 24 24 25 25 26 26 27 27 28 28 29 14 17 23 7 8 11 9 10 12 13 23 43 9 30 31 10 32 33 34 35 36 37 13 14 15 38 39 17 16 40 41 42 18 19 18 20 21 44 22 45 22 46 47 24 25 26 27 48 28 49 29 50 29 51 52 2 2 2 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 1 1 1 2 1 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 2 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 6.3301 6.3301 5.4641 4.5981 2.866 4.5981 3.732 4.5981 2.866 3.732 5.4641 2 5.4641 6.3301 2 7.1962 6.3301 7.1962 8.0901 8.0901 8.9962 8.9962 4.5981 3.732 3.732 2.866 2.866 2 2 3.3335 4.1306 5.2087 4.8101 2.2554 2.654 4.1306 3.3335 1.3894 1.788 2.62 2 1.38 4.0611 8.0829 8.0829 9.5319 9.5319 4.269 2.866 2.866 1.4631 1.4631 2.25 -1.75 -2.25 1.25 2.25 -0.75 0.75 2.25 1.25 2.75 0.75 2.75 -0.25 1.25 3.75 0.75 -0.75 -0.25 1.2847 -0.7847 0.7708 -0.2708 -1.75 -2.25 -3.25 -1.75 -3.75 -2.25 -3.25 0.2751 0.2751 2.1423 2.8326 1.3577 0.6674 3.225 3.225 2.8577 2.1674 3.75 4.37 3.75 -0.44 1.9046 -1.4046 1.0829 -0.5829 -3.56 -1.13 -4.37 -1.94 -3.56 8 8 8 8 8 8 8 8 8 8 8 8 16 16 18 19 20 21 24 24 25 26 27 28 18 19 20 21 22 22 25 26 27 28 29 29 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 688 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30000000000000000000000000000000000000003C6081000000000000814000001E00100000000C0CC19804320083C000008802A55250008200002400000888018804C80860328095319421086084008889C71989808E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-(4-ethylpiperazin-1-yl)-1,4-dioxo-2-naphthyl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-(4-ethyl-1-piperazinyl)-1,4-dioxo-2-naphthalenyl]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[3-(4-ethylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-(4-ethylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-(4-ethylpiperazin-1-yl)-1,4-bis(oxidanylidene)naphthalen-2-yl]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-(4-ethylpiperazino)-1,4-diketo-2-naphthyl]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C23H23N3O3/c1-2-25-12-14-26(15-13-25)20-19(24-23(29)16-8-4-3-5-9-16)21(27)17-10-6-7-11-18(17)22(20)28/h3-11H,2,12-15H2,1H3,(H,24,29) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 BIVYSVYNGNREMG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 389.17394160 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C23H23N3O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 389.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC(=O)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC(=O)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 69.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 389.17394160 29 0 0 0 0 0 0 0 1 -1