CAS RN: 24534-96-1
CAS Name: 16-hydroxyhexadecanehydrazide
OPENEYE Name: 16-hydroxyhexadecanehydrazide
IUPAC Name: 16-hydroxyhexadecanehydrazide
SYSTEMATIC NAME: 16-oxidanylhexadecanehydrazide
MOLECULAR FORMULA: C16H34N2O2
MOLECULAR WEIGHT: 286.45336
SMILES: C(CCCCCCCC(=O)NN)CCCCCCCO
Structure:
CAS RN: 18270-60-5
CAS Name: 15-hydroxypentadecanehydrazide
OPENEYE Name: 15-hydroxypentadecanehydrazide
IUPAC Name: 15-hydroxypentadecanehydrazide
SYSTEMATIC NAME: 15-oxidanylpentadecanehydrazide
MOLECULAR FORMULA: C15H32N2O2
MOLECULAR WEIGHT: 272.42678
SMILES: C(CCCCCCCO)CCCCCCC(=O)NN
Structure:
CAS RN: 92741-26-9
CAS Name: 2,2,5-trimethyl-1,3-dioxolane-4-carboxylic acid
OPENEYE Name: 2,2,5-trimethyl-1,3-dioxolane-4-carboxylic acid
IUPAC Name: 2,2,5-trimethyl-1,3-dioxolane-4-carboxylic acid
SYSTEMATIC NAME: 2,2,5-trimethyl-1,3-dioxolane-4-carboxylic acid
MOLECULAR FORMULA: C7H12O4
MOLECULAR WEIGHT: 160.16778
SMILES: CC1C(OC(O1)(C)C)C(=O)O
Structure:
CAS RN: 73710-74-4
CAS Name: 6,7-dihydro-5H-pyrrolizine-1-carboxylic acid methyl ester
OPENEYE Name: methyl 6,7-dihydro-5H-pyrrolizine-1-carboxylate
IUPAC Name: methyl 6,7-dihydro-5H-pyrrolizine-1-carboxylate
SYSTEMATIC NAME: methyl 6,7-dihydro-5H-pyrrolizine-1-carboxylate
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: COC(=O)C1=C2CCCN2C=C1
Structure:
CAS RN: 58048-32-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C6H4N6
MOLECULAR WEIGHT: 160.13616
SMILES: C1=CN=C2C1=C3N=NNN3C=N2
Structure:
CAS RN: 76573-10-9
CAS Name: N-[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxy-1-oxoethyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-4-oxanyl]formamide
OPENEYE Name: N-[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]tetrahydropyran-4-yl]formamide
IUPAC Name: N-[3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]formamide
SYSTEMATIC NAME: N-[6-[[(1S,3S)-10-methoxy-3,5,12-tris(oxidanyl)-3-(2-oxidanylethanoyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]methanamide
MOLECULAR FORMULA: C28H29NO12
MOLECULAR WEIGHT: 571.52936
SMILES: CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)NC=O)O
Structure:
CAS RN: 14984-42-0
CAS Name: 4-amino-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
OPENEYE Name: 4-amino-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
IUPAC Name: 4-amino-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
SYSTEMATIC NAME: 4-azanyl-13-methyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
MOLECULAR FORMULA: C18H23NO2
MOLECULAR WEIGHT: 285.38072
SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4N)O
Structure:
CAS RN: 70539-47-8
CAS Name: 5-[methyl-(4-methylphenyl)sulfonylamino]pentanoic acid
OPENEYE Name: 5-[methyl(p-tolylsulfonyl)amino]pentanoic acid
IUPAC Name: 5-[methyl-(4-methylphenyl)sulfonylamino]pentanoic acid
SYSTEMATIC NAME: 5-[methyl-(4-methylphenyl)sulfonyl-amino]pentanoic acid
MOLECULAR FORMULA: C13H19NO4S
MOLECULAR WEIGHT: 285.35926
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(C)CCCCC(=O)O
Structure:
CAS RN: 40283-46-3
CAS Name: 2-amino-5-thiazolecarboxylic acid
OPENEYE Name: 2-aminothiazole-5-carboxylic acid
IUPAC Name: 2-amino-1,3-thiazole-5-carboxylic acid
SYSTEMATIC NAME: 2-azanyl-1,3-thiazole-5-carboxylic acid
MOLECULAR FORMULA: C4H4N2O2S
MOLECULAR WEIGHT: 144.15176
SMILES: C1=C(SC(=N1)N)C(=O)O
Structure:
CAS RN: 23722-96-5
CAS Name: 2-[(5-amino-6-chloro-4-pyrimidinyl)amino]-4-(hydroxymethyl)-1-cyclopentanol
OPENEYE Name: 2-[(5-amino-6-chloro-pyrimidin-4-yl)amino]-4-(hydroxymethyl)cyclopentanol
IUPAC Name: 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-4-(hydroxymethyl)cyclopentan-1-ol
SYSTEMATIC NAME: 2-[(5-azanyl-6-chloranyl-pyrimidin-4-yl)amino]-4-(hydroxymethyl)cyclopentan-1-ol
MOLECULAR FORMULA: C10H15ClN4O2
MOLECULAR WEIGHT: 258.7047
SMILES: C1C(CC(C1NC2=C(C(=NC=N2)Cl)N)O)CO
Structure:
CAS RN: 59886-01-0
CAS Name: 2-[5-amino-7-(methylthio)-3-triazolo[4,5-d]pyrimidinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-(5-amino-7-methylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(5-amino-7-methylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(5-azanyl-7-methylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C10H14N6O4S
MOLECULAR WEIGHT: 314.32096
SMILES: CSC1=NC(=NC2=C1N=NN2C3C(C(C(O3)CO)O)O)N
Structure:
CAS RN: 70216-75-0
CAS Name: 4,4-diethoxy-1-butanol
OPENEYE Name: 4,4-diethoxybutan-1-ol
IUPAC Name: 4,4-diethoxybutan-1-ol
SYSTEMATIC NAME: 4,4-diethoxybutan-1-ol
MOLECULAR FORMULA: C8H18O3
MOLECULAR WEIGHT: 162.22672
SMILES: CCOC(CCCO)OCC
Structure:
CAS RN: 58028-05-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H39N3O3
MOLECULAR WEIGHT: 489.64896
SMILES: CC1=CC=C(C=C1)N2C3CC4C5CC=C6CC(CCC6(C5CCC4(C3(N=N2)C(=O)C)C)C)OC(=O)C
Structure:
CAS RN: 87383-50-4
CAS Name: 2,5-diphenyl-3,4-dihydropyrazole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2,5-diphenyl-3,4-dihydropyrazole-3-carboxylate
IUPAC Name: ethyl 2,5-diphenyl-3,4-dihydropyrazole-3-carboxylate
SYSTEMATIC NAME: ethyl 2,5-diphenyl-3,4-dihydropyrazole-3-carboxylate
MOLECULAR FORMULA: C18H18N2O2
MOLECULAR WEIGHT: 294.34772
SMILES: CCOC(=O)C1CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 19737-92-9
CAS Name: 2,3,9-trimethoxy-6a,12a-dihydro-6H-[1]benzopyrano[3,4-b][1]benzopyran-12-one
OPENEYE Name: 2,3,9-trimethoxy-6a,12a-dihydro-6H-chromeno[3,4-b]chromen-12-one
IUPAC Name: 2,3,9-trimethoxy-6a,12a-dihydro-6H-chromeno[3,4-b]chromen-12-one
SYSTEMATIC NAME: 2,3,9-trimethoxy-6a,12a-dihydro-6H-chromeno[3,4-b]chromen-12-one
MOLECULAR FORMULA: C19H18O6
MOLECULAR WEIGHT: 342.34262
SMILES: COC1=CC2=C(C=C1)C(=O)C3C(O2)COC4=CC(=C(C=C34)OC)OC
Structure:
CAS RN: 14963-97-4
CAS Name: 3-methoxyphthalic acid
OPENEYE Name: 3-methoxyphthalic acid
IUPAC Name: 3-methoxyphthalic acid
SYSTEMATIC NAME: 3-methoxyphthalic acid
MOLECULAR FORMULA: C9H8O5
MOLECULAR WEIGHT: 196.15682
SMILES: COC1=CC=CC(=C1C(=O)O)C(=O)O
Structure:
CAS RN: 82323-45-3
CAS Name: 2-[(4-methylphenyl)sulfonylhydrazinylidene]-2-phenylacetic acid
OPENEYE Name: 2-phenyl-2-(p-tolylsulfonylhydrazono)acetic acid
IUPAC Name: 2-[(4-methylphenyl)sulfonylhydrazinylidene]-2-phenylacetic acid
SYSTEMATIC NAME: 2-[(4-methylphenyl)sulfonylhydrazinylidene]-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C15H14N2O4S
MOLECULAR WEIGHT: 318.34766
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NN=C(C2=CC=CC=C2)C(=O)O
Structure:
CAS RN: 5661-06-3
CAS Name: 2,3-dihydro-1H-cyclopenta[b]quinoline
OPENEYE Name: 2,3-dihydro-1H-cyclopenta[b]quinoline
IUPAC Name: 2,3-dihydro-1H-cyclopenta[b]quinoline
SYSTEMATIC NAME: 2,3-dihydro-1H-cyclopenta[b]quinoline
MOLECULAR FORMULA: C12H11N
MOLECULAR WEIGHT: 169.22244
SMILES: C1CC2=CC3=CC=CC=C3N=C2C1
Structure:
CAS RN: 29520-62-5
CAS Name: 2,3-dihydro-1H-cyclopenta[b]quinolin-3-yl(diphenyl)methanol
OPENEYE Name: 2,3-dihydro-1H-cyclopenta[b]quinolin-3-yl(diphenyl)methanol
IUPAC Name: 2,3-dihydro-1H-cyclopenta[b]quinolin-3-yl(diphenyl)methanol
SYSTEMATIC NAME: 2,3-dihydro-1H-cyclopenta[b]quinolin-3-yl(diphenyl)methanol
MOLECULAR FORMULA: C25H21NO
MOLECULAR WEIGHT: 351.44034
SMILES: C1CC2=CC3=CC=CC=C3N=C2C1C(C4=CC=CC=C4)(C5=CC=CC=C5)O
Structure:
CAS RN: 32353-38-1
CAS Name: 3-(phenylmethylene)-1,2-dihydrocyclopenta[b]quinoline
OPENEYE Name: 3-benzylidene-1,2-dihydrocyclopenta[b]quinoline
IUPAC Name: 3-benzylidene-1,2-dihydrocyclopenta[b]quinoline
SYSTEMATIC NAME: 3-(phenylmethylidene)-1,2-dihydrocyclopenta[b]quinoline
MOLECULAR FORMULA: C19H15N
MOLECULAR WEIGHT: 257.3291
SMILES: C1CC(=CC2=CC=CC=C2)C3=NC4=CC=CC=C4C=C31
Structure:
CAS RN: 31330-97-9
CAS Name: 3-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline
OPENEYE Name: 3-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline
IUPAC Name: 3-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline
SYSTEMATIC NAME: 3-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline
MOLECULAR FORMULA: C13H13N
MOLECULAR WEIGHT: 183.24902
SMILES: CC1CCC2=CC3=CC=CC=C3N=C12
Structure:
CAS RN: 17024-44-1
CAS Name: 5-methyl-6-oxabicyclo[3.1.0]hexan-2-one
OPENEYE Name: 5-methyl-6-oxabicyclo[3.1.0]hexan-2-one
IUPAC Name: 5-methyl-6-oxabicyclo[3.1.0]hexan-2-one
SYSTEMATIC NAME: 5-methyl-6-oxabicyclo[3.1.0]hexan-2-one
MOLECULAR FORMULA: C6H8O2
MOLECULAR WEIGHT: 112.12652
SMILES: CC12CCC(=O)C1O2
Structure:
CAS RN: 703-02-6
CAS Name: 4a-methyl-5,6,7,8-tetrahydronaphthalen-2-one
OPENEYE Name: 4a-methyl-5,6,7,8-tetrahydronaphthalen-2-one
IUPAC Name: 4a-methyl-5,6,7,8-tetrahydronaphthalen-2-one
SYSTEMATIC NAME: 4a-methyl-5,6,7,8-tetrahydronaphthalen-2-one
MOLECULAR FORMULA: C11H14O
MOLECULAR WEIGHT: 162.22826
SMILES: CC12CCCCC1=CC(=O)C=C2
Structure:
CAS RN: 58161-68-5
CAS Name: 2-[(3-hydroxy-4-methoxyphenyl)methylidene]cyclopent-4-ene-1,3-dione
OPENEYE Name: 2-[(3-hydroxy-4-methoxy-phenyl)methylene]cyclopent-4-ene-1,3-dione
IUPAC Name: 2-[(3-hydroxy-4-methoxyphenyl)methylidene]cyclopent-4-ene-1,3-dione
SYSTEMATIC NAME: 2-[(4-methoxy-3-oxidanyl-phenyl)methylidene]cyclopent-4-ene-1,3-dione
MOLECULAR FORMULA: C13H10O4
MOLECULAR WEIGHT: 230.2161
SMILES: COC1=C(C=C(C=C1)C=C2C(=O)C=CC2=O)O
Structure:
CAS RN: 55776-45-9
CAS Name: 2-[(3,4-dimethoxyphenyl)methylidene]cyclopent-4-ene-1,3-dione
OPENEYE Name: 2-[(3,4-dimethoxyphenyl)methylene]cyclopent-4-ene-1,3-dione
IUPAC Name: 2-[(3,4-dimethoxyphenyl)methylidene]cyclopent-4-ene-1,3-dione
SYSTEMATIC NAME: 2-[(3,4-dimethoxyphenyl)methylidene]cyclopent-4-ene-1,3-dione
MOLECULAR FORMULA: C14H12O4
MOLECULAR WEIGHT: 244.24268
SMILES: COC1=C(C=C(C=C1)C=C2C(=O)C=CC2=O)OC
Structure:
CAS RN: 59905-07-6
CAS Name: 3-[1-(hydroxyamino)ethylidene]-5-(phenylmethyl)pyrrolidine-2,4-dione
OPENEYE Name: 5-benzyl-3-[1-(hydroxyamino)ethylidene]pyrrolidine-2,4-dione
IUPAC Name: 5-benzyl-3-[1-(hydroxyamino)ethylidene]pyrrolidine-2,4-dione
SYSTEMATIC NAME: 3-[1-(oxidanylamino)ethylidene]-5-(phenylmethyl)pyrrolidine-2,4-dione
MOLECULAR FORMULA: C13H14N2O3
MOLECULAR WEIGHT: 246.26186
SMILES: CC(=C1C(=O)C(NC1=O)CC2=CC=CC=C2)NO
Structure:
CAS RN: 59876-26-5
CAS Name: 3-[1-(phenylhydrazo)ethylidene]-5-(phenylmethyl)pyrrolidine-2,4-dione
OPENEYE Name: 5-benzyl-3-[1-(2-phenylhydrazino)ethylidene]pyrrolidine-2,4-dione
IUPAC Name: 5-benzyl-3-[1-(2-phenylhydrazinyl)ethylidene]pyrrolidine-2,4-dione
SYSTEMATIC NAME: 3-[1-(2-phenylhydrazinyl)ethylidene]-5-(phenylmethyl)pyrrolidine-2,4-dione
MOLECULAR FORMULA: C19H19N3O2
MOLECULAR WEIGHT: 321.37306
SMILES: CC(=C1C(=O)C(NC1=O)CC2=CC=CC=C2)NNC3=CC=CC=C3
Structure:
CAS RN: 59876-42-5
CAS Name: 3-(1-anilinoethylidene)-5-[(3,4-dihydroxyphenyl)methyl]pyrrolidine-2,4-dione
OPENEYE Name: 3-(1-anilinoethylidene)-5-[(3,4-dihydroxyphenyl)methyl]pyrrolidine-2,4-dione
IUPAC Name: 3-(1-anilinoethylidene)-5-[(3,4-dihydroxyphenyl)methyl]pyrrolidine-2,4-dione
SYSTEMATIC NAME: 5-[[3,4-bis(oxidanyl)phenyl]methyl]-3-(1-phenylazanylethylidene)pyrrolidine-2,4-dione
MOLECULAR FORMULA: C19H18N2O4
MOLECULAR WEIGHT: 338.35722
SMILES: CC(=C1C(=O)C(NC1=O)CC2=CC(=C(C=C2)O)O)NC3=CC=CC=C3
Structure:
CAS RN: 59876-44-7
CAS Name: 3-(1-anilinoethylidene)-5-[(3-fluorophenyl)methyl]pyrrolidine-2,4-dione
OPENEYE Name: 3-(1-anilinoethylidene)-5-[(3-fluorophenyl)methyl]pyrrolidine-2,4-dione
IUPAC Name: 3-(1-anilinoethylidene)-5-[(3-fluorophenyl)methyl]pyrrolidine-2,4-dione
SYSTEMATIC NAME: 5-[(3-fluorophenyl)methyl]-3-(1-phenylazanylethylidene)pyrrolidine-2,4-dione
MOLECULAR FORMULA: C19H17FN2O2
MOLECULAR WEIGHT: 324.348883
SMILES: CC(=C1C(=O)C(NC1=O)CC2=CC(=CC=C2)F)NC3=CC=CC=C3
Structure:
CAS RN: 59876-45-8
CAS Name: 3-(1-anilinoethylidene)-5-[(4-fluorophenyl)methyl]pyrrolidine-2,4-dione
OPENEYE Name: 3-(1-anilinoethylidene)-5-[(4-fluorophenyl)methyl]pyrrolidine-2,4-dione
IUPAC Name: 3-(1-anilinoethylidene)-5-[(4-fluorophenyl)methyl]pyrrolidine-2,4-dione
SYSTEMATIC NAME: 5-[(4-fluorophenyl)methyl]-3-(1-phenylazanylethylidene)pyrrolidine-2,4-dione
MOLECULAR FORMULA: C19H17FN2O2
MOLECULAR WEIGHT: 324.348883
SMILES: CC(=C1C(=O)C(NC1=O)CC2=CC=C(C=C2)F)NC3=CC=CC=C3
Structure:
CAS RN: 58028-09-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H36N2O2
MOLECULAR WEIGHT: 444.60834
SMILES: CC1=CC=C(C=C1)N2C3C2(C4(CCC5C(C4C3)CC=C6C5(CCC(C6)OC(=O)C)C)C)C#N
Structure:
CAS RN: 58028-07-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H34N2O2
MOLECULAR WEIGHT: 430.58176
SMILES: CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5C4(N5C6=CC=CC=C6)C#N)C)C
Structure:
CAS RN: 58028-03-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H36ClNO3
MOLECULAR WEIGHT: 482.05404
SMILES: CC(=O)C12C(N1C3=CC=CC=C3Cl)CC4C2(CCC5C4CC=C6C5(CCC(C6)OC(=O)C)C)C
Structure:
CAS RN: 58028-04-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H39NO3
MOLECULAR WEIGHT: 461.63556
SMILES: CC1=CC=C(C=C1)N2C3C2(C4(CCC5C(C4C3)CC=C6C5(CCC(C6)OC(=O)C)C)C)C(=O)C
Structure:
CAS RN: 58028-01-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H37NO3
MOLECULAR WEIGHT: 447.60898
SMILES: CC(=O)C12C(N1C3=CC=CC=C3)CC4C2(CCC5C4CC=C6C5(CCC(C6)OC(=O)C)C)C
Structure:
CAS RN: 58028-11-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H33ClN2O2
MOLECULAR WEIGHT: 465.02682
SMILES: CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5C4(N5C6=CC=CC=C6Cl)C#N)C)C
Structure:
CAS RN: 58028-02-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H37N3O3
MOLECULAR WEIGHT: 475.62238
SMILES: CC(=O)C12C(CC3C1(CCC4C3CC=C5C4(CCC(C5)OC(=O)C)C)C)N(N=N2)C6=CC=CC=C6
Structure:
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