CAS RN: 2344-17-4
CAS Name: 4,6-dichloro-2-(trifluoromethyl)-5-pyrimidinamine
OPENEYE Name: 4,6-dichloro-2-(trifluoromethyl)pyrimidin-5-amine
IUPAC Name: 4,6-dichloro-2-(trifluoromethyl)pyrimidin-5-amine
SYSTEMATIC NAME: 4,6-bis(chloranyl)-2-(trifluoromethyl)pyrimidin-5-amine
MOLECULAR FORMULA: C5H2Cl2F3N3
MOLECULAR WEIGHT: 231.99069
SMILES: C1(=C(N=C(N=C1Cl)C(F)(F)F)Cl)N
Structure:
CAS RN: 6947-76-8
CAS Name: 2-[2-[2-oxo-2-[(phenylmethyl)amino]ethyl]-1,3-dioxolan-2-yl]-N-(phenylmethyl)acetamide
OPENEYE Name: N-benzyl-2-[2-[2-(benzylamino)-2-oxo-ethyl]-1,3-dioxolan-2-yl]acetamide
IUPAC Name: N-benzyl-2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-dioxolan-2-yl]acetamide
SYSTEMATIC NAME: 2-[2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1,3-dioxolan-2-yl]-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C21H24N2O4
MOLECULAR WEIGHT: 368.42626
SMILES: C1COC(O1)(CC(=O)NCC2=CC=CC=C2)CC(=O)NCC3=CC=CC=C3
Structure:
CAS RN: 6947-75-7
CAS Name: 2-[4-oxo-1-(phenylmethyl)-3-piperidinyl]acetic acid ethyl ester
OPENEYE Name: ethyl 2-(1-benzyl-4-oxo-3-piperidyl)acetate
IUPAC Name: ethyl 2-(1-benzyl-4-oxopiperidin-3-yl)acetate
SYSTEMATIC NAME: ethyl 2-[4-oxidanylidene-1-(phenylmethyl)piperidin-3-yl]ethanoate
MOLECULAR FORMULA: C16H21NO3
MOLECULAR WEIGHT: 275.34284
SMILES: CCOC(=O)CC1CN(CCC1=O)CC2=CC=CC=C2
Structure:
CAS RN: 84871-07-8
CAS Name: 1-[(4-propan-2-ylphenyl)methyl]piperidine
OPENEYE Name: 1-[(4-isopropylphenyl)methyl]piperidine
IUPAC Name: 1-[(4-propan-2-ylphenyl)methyl]piperidine
SYSTEMATIC NAME: 1-[(4-propan-2-ylphenyl)methyl]piperidine
MOLECULAR FORMULA: C15H23N
MOLECULAR WEIGHT: 217.34982
SMILES: CC(C)C1=CC=C(C=C1)CN2CCCCC2
Structure:
CAS RN: 491-40-7
CAS Name: 1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
OPENEYE Name: 1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
IUPAC Name: 1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
SYSTEMATIC NAME: 1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
MOLECULAR FORMULA: C9H15NO
MOLECULAR WEIGHT: 153.2215
SMILES: C1CCN2C(C1)CCCC2=O
Structure:
CAS RN: 7145-09-7
CAS Name: 2-[3-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxo-3-indolyl]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[3-(2-ethoxy-2-oxo-ethyl)-1-methyl-2-oxo-indolin-3-yl]acetate
IUPAC Name: ethyl 2-[3-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxoindol-3-yl]acetate
SYSTEMATIC NAME: ethyl 2-[3-(2-ethoxy-2-oxidanylidene-ethyl)-1-methyl-2-oxidanylidene-indol-3-yl]ethanoate
MOLECULAR FORMULA: C17H21NO5
MOLECULAR WEIGHT: 319.35234
SMILES: CCOC(=O)CC1(C2=CC=CC=C2N(C1=O)C)CC(=O)OCC
Structure:
CAS RN: 84849-00-3
CAS Name: 1-(2-methoxy-1-naphthalenyl)-2-propanol
OPENEYE Name: 1-(2-methoxy-1-naphthyl)propan-2-ol
IUPAC Name: 1-(2-methoxynaphthalen-1-yl)propan-2-ol
SYSTEMATIC NAME: 1-(2-methoxynaphthalen-1-yl)propan-2-ol
MOLECULAR FORMULA: C14H16O2
MOLECULAR WEIGHT: 216.27564
SMILES: CC(CC1=C(C=CC2=CC=CC=C21)OC)O
Structure:
CAS RN: 6947-68-8
CAS Name: 3-[2-(dimethylamino)-1-oxoethyl]-1-methyl-3H-indol-2-one
OPENEYE Name: 3-[2-(dimethylamino)acetyl]-1-methyl-indolin-2-one
IUPAC Name: 3-[2-(dimethylamino)acetyl]-1-methyl-3H-indol-2-one
SYSTEMATIC NAME: 3-[2-(dimethylamino)ethanoyl]-1-methyl-3H-indol-2-one
MOLECULAR FORMULA: C13H16N2O2
MOLECULAR WEIGHT: 232.27834
SMILES: CN1C2=CC=CC=C2C(C1=O)C(=O)CN(C)C
Structure:
CAS RN: 84832-73-5
CAS Name: 1-(dichloromethyl)-1-methyl-2-naphthalenone
OPENEYE Name: 1-(dichloromethyl)-1-methyl-naphthalen-2-one
IUPAC Name: 1-(dichloromethyl)-1-methylnaphthalen-2-one
SYSTEMATIC NAME: 1-[bis(chloranyl)methyl]-1-methyl-naphthalen-2-one
MOLECULAR FORMULA: C12H10Cl2O
MOLECULAR WEIGHT: 241.1132
SMILES: CC1(C(=O)C=CC2=CC=CC=C21)C(Cl)Cl
Structure:
CAS RN: 84788-22-7
CAS Name: 1-(2-hydroxy-1H-indol-3-yl)ethanone
OPENEYE Name: 1-(2-hydroxy-1H-indol-3-yl)ethanone
IUPAC Name: 1-(2-hydroxy-1H-indol-3-yl)ethanone
SYSTEMATIC NAME: 1-(2-oxidanyl-1H-indol-3-yl)ethanone
MOLECULAR FORMULA: C10H9NO2
MOLECULAR WEIGHT: 175.18396
SMILES: CC(=O)C1=C(NC2=CC=CC=C21)O
Structure:
CAS RN: 6947-61-1
CAS Name: benzoic acid [3,4-dibenzoyloxy-4-(2-phenyl-4-triazolyl)butan-2-yl] ester
OPENEYE Name: [2,3-dibenzoyloxy-1-methyl-3-(2-phenyltriazol-4-yl)propyl] benzoate
IUPAC Name: [3,4-dibenzoyloxy-4-(2-phenyltriazol-4-yl)butan-2-yl] benzoate
SYSTEMATIC NAME: [3,4-bis(phenylcarbonyloxy)-4-(2-phenyl-1,2,3-triazol-4-yl)butan-2-yl] benzoate
MOLECULAR FORMULA: C33H27N3O6
MOLECULAR WEIGHT: 561.58398
SMILES: CC(C(C(C1=NN(N=C1)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
Structure:
CAS RN: 6947-60-0
CAS Name: acetic acid [2,3,4,5-tetraacetyloxy-5-(2-phenyl-4-triazolyl)pentyl] ester
OPENEYE Name: [2,3,4,5-tetraacetoxy-5-(2-phenyltriazol-4-yl)pentyl] acetate
IUPAC Name: [2,3,4,5-tetraacetyloxy-5-(2-phenyltriazol-4-yl)pentyl] acetate
SYSTEMATIC NAME: [2,3,4,5-tetraacetyloxy-5-(2-phenyl-1,2,3-triazol-4-yl)pentyl] ethanoate
MOLECULAR FORMULA: C23H27N3O10
MOLECULAR WEIGHT: 505.47458
SMILES: CC(=O)OCC(C(C(C(C1=NN(N=C1)C2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 7356-66-3
CAS Name: acetic acid [2,3,4,5-tetraacetyloxy-5-(2-phenyl-4-triazolyl)pentyl] ester
OPENEYE Name: [2,3,4,5-tetraacetoxy-5-(2-phenyltriazol-4-yl)pentyl] acetate
IUPAC Name: [2,3,4,5-tetraacetyloxy-5-(2-phenyltriazol-4-yl)pentyl] acetate
SYSTEMATIC NAME: [2,3,4,5-tetraacetyloxy-5-(2-phenyl-1,2,3-triazol-4-yl)pentyl] ethanoate
MOLECULAR FORMULA: C23H27N3O10
MOLECULAR WEIGHT: 505.47458
SMILES: CC(=O)OCC(C(C(C(C1=NN(N=C1)C2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 108206-13-9
CAS Name: acetic acid [(2R,3R)-2,3-diacetyloxy-3-(2-phenyl-4-triazolyl)propyl] ester
OPENEYE Name: [(2R,3R)-2,3-diacetoxy-3-(2-phenyltriazol-4-yl)propyl] acetate
IUPAC Name: [(2R,3R)-2,3-diacetyloxy-3-(2-phenyltriazol-4-yl)propyl] acetate
SYSTEMATIC NAME: [(2R,3R)-2,3-diacetyloxy-3-(2-phenyl-1,2,3-triazol-4-yl)propyl] ethanoate
MOLECULAR FORMULA: C17H19N3O6
MOLECULAR WEIGHT: 361.34926
SMILES: CC(=O)OC[C@H]([C@@H](C1=NN(N=C1)C2=CC=CC=C2)OC(=O)C)OC(=O)C
Structure:
CAS RN: 6631-63-6
CAS Name: acetic acid [2,3-diacetyloxy-3-(3,4-diacetyloxy-5-phenoxy-2-oxolanyl)propyl] ester
OPENEYE Name: [2,3-diacetoxy-3-(3,4-diacetoxy-5-phenoxy-tetrahydrofuran-2-yl)propyl] acetate
IUPAC Name: [2,3-diacetyloxy-3-(3,4-diacetyloxy-5-phenoxyoxolan-2-yl)propyl] acetate
SYSTEMATIC NAME: [2,3-diacetyloxy-3-(3,4-diacetyloxy-5-phenoxy-oxolan-2-yl)propyl] ethanoate
MOLECULAR FORMULA: C23H28O12
MOLECULAR WEIGHT: 496.46122
SMILES: CC(=O)OCC(C(C1C(C(C(O1)OC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 20188-65-2
CAS Name: 1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
OPENEYE Name: 1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
IUPAC Name: 1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
SYSTEMATIC NAME: 1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
MOLECULAR FORMULA: C13H18N2O6
MOLECULAR WEIGHT: 298.29182
SMILES: C1=CC=C2C(=C1)NC(=N2)C(C(C(C(C(CO)O)O)O)O)O
Structure:
CAS RN: 51030-48-9
CAS Name: 1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
OPENEYE Name: 1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
IUPAC Name: 1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
SYSTEMATIC NAME: 1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
MOLECULAR FORMULA: C13H18N2O6
MOLECULAR WEIGHT: 298.29182
SMILES: C1=CC=C2C(=C1)NC(=N2)C(C(C(C(C(CO)O)O)O)O)O
Structure:
CAS RN: 7249-98-1
CAS Name: 1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol; 2,3-dihydroxybutanedioic acid
OPENEYE Name: 1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol; 2,3-dihydroxybutanedioic acid
IUPAC Name: 1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol; 2,3-dihydroxybutanedioic acid
SYSTEMATIC NAME: 1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol; 2,3-bis(oxidanyl)butanedioic acid
MOLECULAR FORMULA: C17H24N2O12
MOLECULAR WEIGHT: 448.37866
SMILES: C1=CC=C2C(=C1)NC(=N2)C(C(C(C(C(CO)O)O)O)O)O.C(C(C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 75198-96-8
CAS Name: (1R)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
OPENEYE Name: (1R)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
IUPAC Name: (1R)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
SYSTEMATIC NAME: (1R)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
MOLECULAR FORMULA: C13H18N2O6
MOLECULAR WEIGHT: 298.29182
SMILES: C1=CC=C2C(=C1)NC(=N2)[C@H](C(C(C(C(CO)O)O)O)O)O
Structure:
CAS RN: 75198-92-4
CAS Name: (1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
OPENEYE Name: (1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
IUPAC Name: (1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
SYSTEMATIC NAME: (1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
MOLECULAR FORMULA: C13H18N2O6
MOLECULAR WEIGHT: 298.29182
SMILES: C1=CC=C2C(=C1)NC(=N2)[C@@H](C(C(C(C(CO)O)O)O)O)O
Structure:
CAS RN: 47167-80-6
CAS Name: (1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
OPENEYE Name: (1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
IUPAC Name: (1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
SYSTEMATIC NAME: (1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
MOLECULAR FORMULA: C13H18N2O6
MOLECULAR WEIGHT: 298.29182
SMILES: C1=CC=C2C(=C1)NC(=N2)[C@@H](C(C(C(C(CO)O)O)O)O)O
Structure:
CAS RN: 75195-12-9
CAS Name: (1S)-1-(1H-benzimidazol-2-yl)pentane-1,2,3,4,5-pentol
OPENEYE Name: (1S)-1-(1H-benzimidazol-2-yl)pentane-1,2,3,4,5-pentol
IUPAC Name: (1S)-1-(1H-benzimidazol-2-yl)pentane-1,2,3,4,5-pentol
SYSTEMATIC NAME: (1S)-1-(1H-benzimidazol-2-yl)pentane-1,2,3,4,5-pentol
MOLECULAR FORMULA: C12H16N2O5
MOLECULAR WEIGHT: 268.26584
SMILES: C1=CC=C2C(=C1)NC(=N2)[C@@H](C(C(C(CO)O)O)O)O
Structure:
CAS RN: 75191-48-9
CAS Name: (1R)-1-(1H-benzimidazol-2-yl)pentane-1,2,3,4,5-pentol
OPENEYE Name: (1R)-1-(1H-benzimidazol-2-yl)pentane-1,2,3,4,5-pentol
IUPAC Name: (1R)-1-(1H-benzimidazol-2-yl)pentane-1,2,3,4,5-pentol
SYSTEMATIC NAME: (1R)-1-(1H-benzimidazol-2-yl)pentane-1,2,3,4,5-pentol
MOLECULAR FORMULA: C12H16N2O5
MOLECULAR WEIGHT: 268.26584
SMILES: C1=CC=C2C(=C1)NC(=N2)[C@H](C(C(C(CO)O)O)O)O
Structure:
CAS RN: 80009-72-9
CAS Name: 1-(1H-benzimidazol-2-yl)pentane-1,2,3,4-tetrol
OPENEYE Name: 1-(1H-benzimidazol-2-yl)pentane-1,2,3,4-tetrol
IUPAC Name: 1-(1H-benzimidazol-2-yl)pentane-1,2,3,4-tetrol
SYSTEMATIC NAME: 1-(1H-benzimidazol-2-yl)pentane-1,2,3,4-tetrol
MOLECULAR FORMULA: C12H16N2O4
MOLECULAR WEIGHT: 252.26644
SMILES: CC(C(C(C(C1=NC2=CC=CC=C2N1)O)O)O)O
Structure:
CAS RN: 75190-78-2
CAS Name: (1S,2R)-1-(2-phenyl-4-triazolyl)propane-1,2,3-triol
OPENEYE Name: (1S,2R)-1-(2-phenyltriazol-4-yl)propane-1,2,3-triol
IUPAC Name: (1S,2R)-1-(2-phenyltriazol-4-yl)propane-1,2,3-triol
SYSTEMATIC NAME: (1S,2R)-1-(2-phenyl-1,2,3-triazol-4-yl)propane-1,2,3-triol
MOLECULAR FORMULA: C11H13N3O3
MOLECULAR WEIGHT: 235.23922
SMILES: C1=CC=C(C=C1)N2N=CC(=N2)[C@@H]([C@@H](CO)O)O
Structure:
CAS RN: 3213-80-7
CAS Name: 2-phenyl-4-triazolecarboxaldehyde
OPENEYE Name: 2-phenyltriazole-4-carbaldehyde
IUPAC Name: 2-phenyltriazole-4-carbaldehyde
SYSTEMATIC NAME: 2-phenyl-1,2,3-triazole-4-carbaldehyde
MOLECULAR FORMULA: C9H7N3O
MOLECULAR WEIGHT: 173.17138
SMILES: C1=CC=C(C=C1)N2N=CC(=N2)C=O
Structure:
CAS RN: 28149-62-4
CAS Name: N-[4-(2-cyano-2-phenylethenyl)phenyl]acetamide
OPENEYE Name: N-[4-(2-cyano-2-phenyl-vinyl)phenyl]acetamide
IUPAC Name: N-[4-(2-cyano-2-phenylethenyl)phenyl]acetamide
SYSTEMATIC NAME: N-[4-(2-cyano-2-phenyl-ethenyl)phenyl]ethanamide
MOLECULAR FORMULA: C17H14N2O
MOLECULAR WEIGHT: 262.30586
SMILES: CC(=O)NC1=CC=C(C=C1)C=C(C#N)C2=CC=CC=C2
Structure:
CAS RN: 7004-98-0
CAS Name: (8R,9S,13S,14S,16R,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
OPENEYE Name: (8R,9S,13S,14S,16R,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
IUPAC Name: (8R,9S,13S,14S,16R,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
SYSTEMATIC NAME: (8R,9S,13S,14S,16R,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
MOLECULAR FORMULA: C19H26O3
MOLECULAR WEIGHT: 302.40794
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@H]2O)O)CCC4=C3C=CC(=C4)OC
Structure:
CAS RN: 4116-43-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H33N3O
MOLECULAR WEIGHT: 355.51692
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC5=CN=C(N=C5C4)N)C
Structure:
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