785049 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 8 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 5 5 5 6 6 7 7 8 8 9 9 10 10 11 11 11 12 12 13 13 14 14 15 15 16 19 19 20 20 20 22 22 23 23 24 24 25 26 8 17 17 18 21 6 18 34 21 35 25 26 9 10 11 13 12 14 19 27 28 15 29 16 30 16 31 17 18 32 22 33 21 23 24 36 37 25 38 26 39 40 41 1 1 2 2 2 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 2 1 1 1 1 1 2 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 7.1962 5.4641 4.5981 5.4641 5.4641 4.5981 2 8.0622 8.9561 8.0622 8.9446 7.1962 9.8622 8.9561 6.3301 9.8622 6.3301 5.4641 9.8047 3.732 4.5981 9.7932 2.866 3.732 2 2.866 8.3353 8.7258 7.1962 10.3979 8.949 10.3979 10.3452 6.001 4.0611 9.2527 10.3265 2.866 4.269 1.4631 2.866 -1.9778 -1.9778 -0.4777 3.0222 1.0223 1.5223 4.0222 -1.4777 -2.0124 -0.4777 -3.0123 0.0223 -1.4986 0.0569 -0.4777 -0.4569 -1.4777 0.0223 -3.5223 3.0222 2.5222 -4.5222 2.5222 4.0222 3.0222 4.5222 -2.8976 -3.5925 0.6423 -1.8106 0.6769 -0.1449 -3.2186 1.3322 1.2122 -4.826 -4.8384 1.9022 4.3322 2.7122 5.1422 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 7 7 8 8 9 10 10 12 13 14 15 20 20 23 24 8 17 25 26 9 10 13 12 14 15 16 16 17 23 24 25 26 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.04.04 610 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.04.04 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.04.04 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.04.04 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.04.04 00000371C07B38000000000000000000000000000000000000003C408000000000000081C000001E00180000000C04C19A043C8E926A1400A80231F75C008288203522221AF8213C6CD80C267ECCB59B863B28E6E011C8E98794C0E00E00000200000800000000040000100000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.04.04 N'-(8-allyl-2-oxo-chromene-3-carbonyl)pyridine-4-carbohydrazide IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.04.04 N'-[oxo-(2-oxo-8-prop-2-enyl-1-benzopyran-3-yl)methyl]-4-pyridinecarbohydrazide IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.04.04 N'-(2-oxo-8-prop-2-enylchromene-3-carbonyl)pyridine-4-carbohydrazide IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.04.04 N'-(2-oxidanylidene-8-prop-2-enyl-chromen-3-yl)carbonylpyridine-4-carbohydrazide IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.04.04 N'-(8-allyl-2-keto-chromene-3-carbonyl)isonicotinohydrazide InChI Standard 1 1.0.3 InChI nist.gov 2011.04.04 InChI=1S/C19H15N3O4/c1-2-4-12-5-3-6-14-11-15(19(25)26-16(12)14)18(24)22-21-17(23)13-7-9-20-10-8-13/h2-3,5-11H,1,4H2,(H,21,23)(H,22,24) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.04.04 FWWDDDPKBMQTIF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.04.04 3.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 349.106256 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 C19H15N3O4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 349.3401 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.04.04 C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NNC(=O)C3=CC=NC=C3 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.04.04 C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NNC(=O)C3=CC=NC=C3 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.04.04 97.4 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 349.106256 26 0 0 0 0 0 0 0 1 9