19890958 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 34 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 2 3 3 3 4 4 5 5 5 6 8 8 8 9 9 10 10 11 11 12 13 13 14 15 15 16 16 17 17 18 18 19 19 20 21 21 22 22 23 6 8 7 7 11 28 12 23 6 7 9 10 12 24 25 13 26 14 27 15 16 17 14 29 30 18 31 19 32 21 33 20 34 20 35 36 22 37 23 38 39 1 1 2 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 2 1 1 1 2 1 1 1 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 5.4641 6.3301 8.0622 2.866 7.1962 6.3301 7.1962 4.5981 8.0622 6.3301 8.0622 3.732 8.0622 7.1962 8.9282 7.1962 3.732 8.9282 7.1962 8.0622 2.866 2 2 4.1996 4.9966 8.5991 5.7932 8.5991 8.5991 7.1962 9.4651 6.6592 4.269 9.4651 6.6592 8.0622 2.866 1.4631 1.4631 -1.25 0.25 0.25 -1.75 -1.25 -1.75 -0.25 -1.75 -1.75 -2.75 1.25 -1.25 -2.75 -3.25 1.75 1.75 -0.25 2.75 2.75 3.25 0.25 -0.25 -1.25 -2.225 -2.225 -1.44 -3.06 -0.06 -3.06 -3.87 1.44 1.44 0.06 3.06 3.06 3.87 0.87 0.06 -1.56 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 9 10 11 11 12 13 15 16 17 18 19 21 22 12 23 6 9 10 13 14 15 16 17 14 18 19 21 20 20 22 23 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 370 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B20000000000020000000000000000000000000003C608000000000000001D000001E00900000000C08C19E043CC092C81000A8033577540082802035022008D8213864D80820F2C09591842108609400C8C9871888008E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-phenyl-2-(2-pyridylmethylselanyl)benzamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-phenyl-2-(2-pyridinylmethylseleno)benzamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-phenyl-2-(pyridin-2-ylmethylselanyl)benzamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-phenyl-2-(pyridin-2-ylmethylselanyl)benzamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-phenyl-2-(pyridin-2-ylmethylselanyl)benzamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-phenyl-2-(2-pyridylmethylseleno)benzamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H16N2OSe/c22-19(21-15-8-2-1-3-9-15)17-11-4-5-12-18(17)23-14-16-10-6-7-13-20-16/h1-13H,14H2,(H,21,22) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DTJHTBZVCQFTLJ-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 368.04278 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H16N2OSe Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2[Se]CC3=CC=CC=N3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2[Se]CC3=CC=CC=N3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 42 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 368.04278 23 0 0 0 0 0 0 0 1 -1