9576686 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 5 5 5 6 6 6 7 7 8 8 9 10 10 11 11 12 12 13 14 14 15 15 16 17 17 18 18 19 20 21 21 22 22 23 24 25 25 25 13 24 4 10 35 9 12 24 38 7 8 11 14 15 9 26 13 17 18 16 27 19 20 16 21 28 22 29 30 19 31 20 32 33 34 23 36 23 37 39 25 40 41 42 2 2 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 4 -1 3 9 13 8 2 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 9.7942 2.866 7.1962 8.0622 3.732 9.7942 9.7942 8.9282 8.9282 6.3301 10.6603 4.5981 9.7942 10.6603 8.9282 10.6603 5.4641 6.3301 4.5981 5.4641 10.6603 8.9282 9.7942 2.866 2 8.3913 11.1972 11.1972 8.3913 11.1972 5.4641 6.8671 4.0611 5.4641 7.1962 11.1972 8.3913 3.732 9.7942 1.69 1.4631 2.31 -2.44 -1.44 -0.94 -1.44 -2.94 0.56 1.56 0.06 -0.94 -1.44 0.06 -2.44 -1.44 2.06 2.06 -0.94 -0.94 -2.44 -1.44 -2.94 3.06 3.06 3.56 -2.44 -2.94 0.37 0.37 1.75 1.75 -1.25 -0.32 -2.75 -1.13 -3.56 -0.32 3.37 3.37 -3.56 4.18 -2.4031 -3.25 -3.4769 8 8 8 8 8 8 8 8 8 8 8 8 7 7 10 10 12 12 14 15 17 18 21 22 14 15 17 18 19 20 21 22 19 20 23 23 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 592 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3000000000000000000000000000000000000000306080000000000000014000001E00180000000C0C81980032C082E20000A803A57250009204002102001888013064D8082022C09191842008609C00C8C9871080800E00008000000000000001000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-[(2E)-2-(6-oxo-3-phenyl-cyclohexa-2,4-dien-1-ylidene)hydrazino]phenyl]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-[(2E)-2-(6-oxo-3-phenyl-1-cyclohexa-2,4-dienylidene)hydrazinyl]phenyl]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[4-[(2<I>E</I>)-2-(6-oxo-3-phenylcyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-[(2E)-2-(6-oxo-3-phenylcyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-[(2E)-2-(6-oxidanylidene-3-phenyl-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-[(N'E)-N'-(6-keto-3-phenyl-cyclohexa-2,4-dien-1-ylidene)hydrazino]phenyl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H17N3O2/c1-14(24)21-17-8-10-18(11-9-17)22-23-19-13-16(7-12-20(19)25)15-5-3-2-4-6-15/h2-13,22H,1H3,(H,21,24)/b23-19+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KKCNUOUPGMLFTR-FCDQGJHFSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 331.132076794 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H17N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 331.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NC1=CC=C(C=C1)NN=C2C=C(C=CC2=O)C3=CC=CC=C3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)NC1=CC=C(C=C1)N/N=C/2\C=C(C=CC2=O)C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 70.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 331.132076794 25 0 0 0 1 1 0 0 1 -1