6379633 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 8 7 7 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 2 2 2 3 4 4 4 5 5 6 6 7 7 8 8 8 9 10 10 11 11 12 12 13 14 15 15 16 16 17 17 18 18 19 9 4 9 23 20 5 21 22 6 7 10 24 11 25 13 15 16 12 14 26 14 27 13 20 28 29 17 30 18 31 19 32 19 33 34 2 1 1 1 3 1 1 1 2 1 1 1 2 1 1 2 1 1 2 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 12 9 20 13 8 28 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 4.5981 5.4641 3.732 6.3301 7.1962 8.0622 7.1962 2.866 4.5981 8.9282 8.0622 3.732 2.866 8.9282 3.732 2 3.732 2 2.866 3.732 5.9316 6.7287 5.4641 8.0622 6.6592 9.4651 8.0622 2.3291 9.4651 4.269 1.4631 4.269 1.4631 2.866 -0.75 0.75 2.75 0.25 0.75 0.25 1.75 -0.75 0.25 0.75 2.25 0.75 0.25 1.75 -1.25 -1.25 -2.25 -2.25 -2.75 1.75 -0.2249 -0.2249 1.37 -0.37 2.06 0.44 2.87 0.56 2.06 -0.94 -0.94 -2.56 -2.56 -3.37 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 7 8 8 10 11 15 16 17 18 6 7 10 11 15 16 14 14 17 18 19 19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 393 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 00000371C07B2000000000000000000000000000000000000000306000000000000000014000001E00100000000C00C19804300082C00000980621521000A200002000000888810804C808A0228091118420086086008889871080000E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (Z)-N-benzyl-2-cyano-3-phenyl-prop-2-enamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (Z)-2-cyano-3-phenyl-N-(phenylmethyl)-2-propenamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (<I>Z</I>)-<I>N</I>-benzyl-2-cyano-3-phenylprop-2-enamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (Z)-N-benzyl-2-cyano-3-phenylprop-2-enamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (Z)-2-cyano-3-phenyl-N-(phenylmethyl)prop-2-enamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (Z)-N-benzyl-2-cyano-3-phenyl-acrylamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C17H14N2O/c18-12-16(11-14-7-3-1-4-8-14)17(20)19-13-15-9-5-2-6-10-15/h1-11H,13H2,(H,19,20)/b16-11- InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GUURNUUYOORXRM-WJDWOHSUSA-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 2021.10.14 262.110613074 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C17H14N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 262.30 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)CNC(=O)C(=CC2=CC=CC=C2)C#N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)CNC(=O)/C(=C\C2=CC=CC=C2)/C#N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 52.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 262.110613074 20 0 0 0 1 1 0 0 1 -1