49724639 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 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 2 2 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 12 13 13 14 14 15 15 16 17 18 18 19 20 20 21 21 22 22 23 24 24 25 25 26 26 27 27 28 28 29 11 19 24 17 7 8 10 9 11 36 12 17 39 9 30 31 11 32 33 34 35 12 13 14 15 37 16 38 16 40 41 18 19 20 21 22 42 23 43 23 44 45 25 26 27 46 28 47 29 48 29 49 50 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 1 2 2 1 1 1 1 2 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 8.9282 4.5981 4.5981 7.1962 7.1962 5.4641 6.3301 8.0622 6.3301 7.1962 8.0622 6.3301 8.0622 6.3301 8.0622 7.1962 4.5981 3.732 3.732 2.866 2.866 2 2 4.5981 3.732 5.4641 3.732 5.4641 4.5981 5.7196 6.1181 8.2742 8.6728 6.1181 5.7196 7.1962 8.5991 5.7932 5.4641 8.5991 7.1962 2.866 2.866 1.4631 1.4631 3.1951 6.001 3.1951 6.001 4.5981 1.75 0.25 -2.75 -0.25 1.75 -1.25 0.25 0.25 1.25 -1.25 1.25 -1.75 -1.75 -2.75 -2.75 -3.25 -1.75 -1.25 -0.25 -1.75 0.25 -1.25 -0.25 1.25 1.75 1.75 2.75 2.75 3.25 0.3577 -0.3326 -0.3326 0.3577 1.8326 1.1423 2.37 -1.44 -3.06 -0.63 -3.06 -3.87 -2.37 0.87 -1.56 0.06 1.44 1.44 3.06 3.06 3.87 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 10 10 12 13 14 15 18 18 19 20 21 22 24 24 25 26 27 28 12 13 14 15 16 16 19 20 21 22 23 23 25 26 27 28 29 29 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 564 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000000000000003C60C1000000000000015000001E00100000000C0CC1980430C683C004008802255250008208002522000888818E7CC80C6636C4B5BB963968E6F611C8E98798C8208E00000000000800200000000000100040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-oxopiperazin-1-yl)phenyl]-2-phenoxy-benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-oxo-1-piperazinyl)phenyl]-2-phenoxybenzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[2-(3-oxopiperazin-1-yl)phenyl]-2-phenoxybenzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-oxopiperazin-1-yl)phenyl]-2-phenoxybenzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-oxidanylidenepiperazin-1-yl)phenyl]-2-phenoxy-benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2-(3-ketopiperazino)phenyl]-2-phenoxy-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H21N3O3/c27-22-16-26(15-14-24-22)20-12-6-5-11-19(20)25-23(28)18-10-4-7-13-21(18)29-17-8-2-1-3-9-17/h1-13H,14-16H2,(H,24,27)(H,25,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 BRBFZPVNYCSKDW-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 2021.05.07 387.15829154 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H21N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 387.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CN(CC(=O)N1)C2=CC=CC=C2NC(=O)C3=CC=CC=C3OC4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CN(CC(=O)N1)C2=CC=CC=C2NC(=O)C3=CC=CC=C3OC4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 70.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 387.15829154 29 0 0 0 0 0 0 0 1 -1