CAS RN: 19741-30-1
CAS Name: 2-(2-imidazo[1,2-a]pyridinyl)acetic acid
OPENEYE Name: 2-imidazo[1,2-a]pyridin-2-ylacetic acid
IUPAC Name: 2-imidazo[1,2-a]pyridin-2-ylacetic acid
SYSTEMATIC NAME: 2-imidazo[1,2-a]pyridin-2-ylethanoic acid
MOLECULAR FORMULA: C9H8N2O2
MOLECULAR WEIGHT: 176.17202
SMILES: C1=CC2=NC(=CN2C=C1)CC(=O)O
Structure:
CAS RN: 57892-75-8
CAS Name: 2-(2-imidazo[1,2-a]pyrazinyl)acetic acid
OPENEYE Name: 2-imidazo[1,2-a]pyrazin-2-ylacetic acid
IUPAC Name: 2-imidazo[1,2-a]pyrazin-2-ylacetic acid
SYSTEMATIC NAME: 2-imidazo[1,2-a]pyrazin-2-ylethanoic acid
MOLECULAR FORMULA: C8H7N3O2
MOLECULAR WEIGHT: 177.16008
SMILES: C1=CN2C=C(N=C2C=N1)CC(=O)O
Structure:
CAS RN: 54535-55-6
CAS Name: 1-phenyl-2-[(2-phenyl-5-imidazo[1,2-c]pyrimidinyl)oxy]ethanone
OPENEYE Name: 1-phenyl-2-(2-phenylimidazo[1,2-c]pyrimidin-5-yl)oxy-ethanone
IUPAC Name: 1-phenyl-2-(2-phenylimidazo[1,2-c]pyrimidin-5-yl)oxyethanone
SYSTEMATIC NAME: 1-phenyl-2-(2-phenylimidazo[1,2-c]pyrimidin-5-yl)oxy-ethanone
MOLECULAR FORMULA: C20H15N3O2
MOLECULAR WEIGHT: 329.352
SMILES: C1=CC=C(C=C1)C2=CN3C(=N2)C=CN=C3OCC(=O)C4=CC=CC=C4
Structure:
CAS RN: 54535-54-5
CAS Name: 2-phenyl-1H-imidazo[1,2-c]pyrimidin-5-one
OPENEYE Name: 2-phenyl-1H-imidazo[1,2-c]pyrimidin-5-one
IUPAC Name: 2-phenyl-1H-imidazo[1,2-c]pyrimidin-5-one
SYSTEMATIC NAME: 2-phenyl-1H-imidazo[1,2-c]pyrimidin-5-one
MOLECULAR FORMULA: C12H9N3O
MOLECULAR WEIGHT: 211.21936
SMILES: C1=CC=C(C=C1)C2=CN3C(=CC=NC3=O)N2
Structure:
CAS RN: 68064-18-6
CAS Name: 1-aziridinyl-[(1-hydroxy-2,2,6,6-tetramethyl-4-piperidinyl)oxy]-phenyl-selanylidenephosphorane
OPENEYE Name: aziridin-1-yl-[(1-hydroxy-2,2,6,6-tetramethyl-4-piperidyl)oxy]-phenyl-selenoxo-$l^{5}-phosphane
IUPAC Name: aziridin-1-yl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-phenyl-selanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: aziridin-1-yl-phenyl-selanylidene-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)oxy-$l^{5}-phosphane
MOLECULAR FORMULA: C17H27N2O2PSe
MOLECULAR WEIGHT: 401.342241
SMILES: CC1(CC(CC(N1O)(C)C)OP(=[Se])(C2=CC=CC=C2)N3CC3)C
Structure:
CAS RN: 62167-11-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H12ClN3O3
MOLECULAR WEIGHT: 353.75918
SMILES: CN1C(=O)C(=O)N2C13C=NC(O3)(C4=C2C=CC(=C4)Cl)C5=CC=CC=C5
Structure:
CAS RN: 3356-92-1
CAS Name: 5-bromo-3-phenylisoxazole
OPENEYE Name: 5-bromo-3-phenyl-isoxazole
IUPAC Name: 5-bromo-3-phenyl-1,2-oxazole
SYSTEMATIC NAME: 5-bromanyl-3-phenyl-1,2-oxazole
MOLECULAR FORMULA: C9H6BrNO
MOLECULAR WEIGHT: 224.05404
SMILES: C1=CC=C(C=C1)C2=NOC(=C2)Br
Structure:
CAS RN: 3356-89-6
CAS Name: 5-chloro-3-phenylisoxazole
OPENEYE Name: 5-chloro-3-phenyl-isoxazole
IUPAC Name: 5-chloro-3-phenyl-1,2-oxazole
SYSTEMATIC NAME: 5-chloranyl-3-phenyl-1,2-oxazole
MOLECULAR FORMULA: C9H6ClNO
MOLECULAR WEIGHT: 179.60304
SMILES: C1=CC=C(C=C1)C2=NOC(=C2)Cl
Structure:
CAS RN: 10557-74-1
CAS Name: 3-bromo-5-phenylisoxazole
OPENEYE Name: 3-bromo-5-phenyl-isoxazole
IUPAC Name: 3-bromo-5-phenyl-1,2-oxazole
SYSTEMATIC NAME: 3-bromanyl-5-phenyl-1,2-oxazole
MOLECULAR FORMULA: C9H6BrNO
MOLECULAR WEIGHT: 224.05404
SMILES: C1=CC=C(C=C1)C2=CC(=NO2)Br
Structure:
CAS RN: 62295-54-9
CAS Name: 2-[2-methyl-1-[3-(1-piperidinyl)propyl]-4-pyridinylidene]indene-1,3-dione
OPENEYE Name: 2-[2-methyl-1-[3-(1-piperidyl)propyl]-4-pyridylidene]indane-1,3-dione
IUPAC Name: 2-[2-methyl-1-(3-piperidin-1-ylpropyl)pyridin-4-ylidene]indene-1,3-dione
SYSTEMATIC NAME: 2-[2-methyl-1-(3-piperidin-1-ylpropyl)pyridin-4-ylidene]indene-1,3-dione
MOLECULAR FORMULA: C23H26N2O2
MOLECULAR WEIGHT: 362.46474
SMILES: CC1=CC(=C2C(=O)C3=CC=CC=C3C2=O)C=CN1CCCN4CCCCC4
Structure:
CAS RN: 62295-50-5
CAS Name: 2-[1-[3-(1-piperidinyl)propyl]-4-pyridinylidene]indene-1,3-dione
OPENEYE Name: 2-[1-[3-(1-piperidyl)propyl]-4-pyridylidene]indane-1,3-dione
IUPAC Name: 2-[1-(3-piperidin-1-ylpropyl)pyridin-4-ylidene]indene-1,3-dione
SYSTEMATIC NAME: 2-[1-(3-piperidin-1-ylpropyl)pyridin-4-ylidene]indene-1,3-dione
MOLECULAR FORMULA: C22H24N2O2
MOLECULAR WEIGHT: 348.43816
SMILES: C1CCN(CC1)CCCN2C=CC(=C3C(=O)C4=CC=CC=C4C3=O)C=C2
Structure:
CAS RN: 62295-49-2
CAS Name: 2-[1-[3-(1-pyrrolidinyl)propyl]-4-pyridinylidene]indene-1,3-dione
OPENEYE Name: 2-[1-(3-pyrrolidin-1-ylpropyl)-4-pyridylidene]indane-1,3-dione
IUPAC Name: 2-[1-(3-pyrrolidin-1-ylpropyl)pyridin-4-ylidene]indene-1,3-dione
SYSTEMATIC NAME: 2-[1-(3-pyrrolidin-1-ylpropyl)pyridin-4-ylidene]indene-1,3-dione
MOLECULAR FORMULA: C21H22N2O2
MOLECULAR WEIGHT: 334.41158
SMILES: C1CCN(C1)CCCN2C=CC(=C3C(=O)C4=CC=CC=C4C3=O)C=C2
Structure:
CAS RN: 62295-47-0
CAS Name: 2-[1-[3-(dimethylamino)propyl]-4-pyridinylidene]indene-1,3-dione
OPENEYE Name: 2-[1-[3-(dimethylamino)propyl]-4-pyridylidene]indane-1,3-dione
IUPAC Name: 2-[1-[3-(dimethylamino)propyl]pyridin-4-ylidene]indene-1,3-dione
SYSTEMATIC NAME: 2-[1-[3-(dimethylamino)propyl]pyridin-4-ylidene]indene-1,3-dione
MOLECULAR FORMULA: C19H20N2O2
MOLECULAR WEIGHT: 308.3743
SMILES: CN(C)CCCN1C=CC(=C2C(=O)C3=CC=CC=C3C2=O)C=C1
Structure:
CAS RN: 62295-43-6
CAS Name: 2-[1-[2-(1-piperidinyl)ethyl]-4-pyridinylidene]indene-1,3-dione
OPENEYE Name: 2-[1-[2-(1-piperidyl)ethyl]-4-pyridylidene]indane-1,3-dione
IUPAC Name: 2-[1-(2-piperidin-1-ylethyl)pyridin-4-ylidene]indene-1,3-dione
SYSTEMATIC NAME: 2-[1-(2-piperidin-1-ylethyl)pyridin-4-ylidene]indene-1,3-dione
MOLECULAR FORMULA: C21H22N2O2
MOLECULAR WEIGHT: 334.41158
SMILES: C1CCN(CC1)CCN2C=CC(=C3C(=O)C4=CC=CC=C4C3=O)C=C2
Structure:
CAS RN: 62295-41-4
CAS Name: 2-[1-[2-(1-pyrrolidinyl)ethyl]-4-pyridinylidene]indene-1,3-dione
OPENEYE Name: 2-[1-(2-pyrrolidin-1-ylethyl)-4-pyridylidene]indane-1,3-dione
IUPAC Name: 2-[1-(2-pyrrolidin-1-ylethyl)pyridin-4-ylidene]indene-1,3-dione
SYSTEMATIC NAME: 2-[1-(2-pyrrolidin-1-ylethyl)pyridin-4-ylidene]indene-1,3-dione
MOLECULAR FORMULA: C20H20N2O2
MOLECULAR WEIGHT: 320.385
SMILES: C1CCN(C1)CCN2C=CC(=C3C(=O)C4=CC=CC=C4C3=O)C=C2
Structure:
CAS RN: 62786-70-3
CAS Name: 1,4,7,10,13,16-hexaoxacycloheneicosane-17,21-dione
OPENEYE Name: 1,4,7,10,13,16-hexaoxacyclohenicosane-17,21-dione
IUPAC Name: 1,4,7,10,13,16-hexaoxacyclohenicosane-17,21-dione
SYSTEMATIC NAME: 1,4,7,10,13,16-hexaoxacyclohenicosane-17,21-dione
MOLECULAR FORMULA: C15H26O8
MOLECULAR WEIGHT: 334.36214
SMILES: C1CC(=O)OCCOCCOCCOCCOCCOC(=O)C1
Structure:
CAS RN: 59578-31-3
CAS Name: 3-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-1-benzopyran-2-one
OPENEYE Name: 3-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)chromen-2-one
IUPAC Name: 3-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)chromen-2-one
SYSTEMATIC NAME: 3-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)chromen-2-one
MOLECULAR FORMULA: C17H18O6
MOLECULAR WEIGHT: 318.32122
SMILES: CC1(OC2C(C(OC2O1)C3=CC4=CC=CC=C4OC3=O)OC)C
Structure:
CAS RN: 14954-36-0
CAS Name: 1-methyl-3-(2-thiazolyl)urea
OPENEYE Name: 1-methyl-3-thiazol-2-yl-urea
IUPAC Name: 1-methyl-3-(1,3-thiazol-2-yl)urea
SYSTEMATIC NAME: 1-methyl-3-(1,3-thiazol-2-yl)urea
MOLECULAR FORMULA: C5H7N3OS
MOLECULAR WEIGHT: 157.19358
SMILES: CNC(=O)NC1=NC=CS1
Structure:
CAS RN: 91912-31-1
CAS Name: 5-(hydroxymethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
OPENEYE Name: 5-(hydroxymethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
IUPAC Name: 5-(hydroxymethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SYSTEMATIC NAME: 5-(hydroxymethyl)-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid
MOLECULAR FORMULA: C6H6N2O5
MOLECULAR WEIGHT: 186.12224
SMILES: C(C1=C(NC(=O)NC1=O)C(=O)O)O
Structure:
CAS RN: 4156-75-6
CAS Name: 1,5-dihydrofuro[3,4-d]pyrimidine-2,4,7-trione
OPENEYE Name: 1,5-dihydrofuro[3,4-d]pyrimidine-2,4,7-trione
IUPAC Name: 1,5-dihydrofuro[3,4-d]pyrimidine-2,4,7-trione
SYSTEMATIC NAME: 1,5-dihydrofuro[3,4-d]pyrimidine-2,4,7-trione
MOLECULAR FORMULA: C6H4N2O4
MOLECULAR WEIGHT: 168.10696
SMILES: C1C2=C(C(=O)O1)NC(=O)NC2=O
Structure:
CAS RN: 55329-73-2
CAS Name: 2-(3-ethoxy-7-methyl-6-isoquinolinyl)ethanol
OPENEYE Name: 2-(3-ethoxy-7-methyl-6-isoquinolyl)ethanol
IUPAC Name: 2-(3-ethoxy-7-methylisoquinolin-6-yl)ethanol
SYSTEMATIC NAME: 2-(3-ethoxy-7-methyl-isoquinolin-6-yl)ethanol
MOLECULAR FORMULA: C14H17NO2
MOLECULAR WEIGHT: 231.29028
SMILES: CCOC1=CC2=CC(=C(C=C2C=N1)C)CCO
Structure:
CAS RN: 55329-77-6
CAS Name: 2-ethoxy-6-methyl-7,8-dihydrocyclopenta[f]isoquinolin-9-one
OPENEYE Name: 2-ethoxy-6-methyl-7,8-dihydrocyclopenta[f]isoquinolin-9-one
IUPAC Name: 2-ethoxy-6-methyl-7,8-dihydrocyclopenta[f]isoquinolin-9-one
SYSTEMATIC NAME: 2-ethoxy-6-methyl-7,8-dihydrocyclopenta[f]isoquinolin-9-one
MOLECULAR FORMULA: C15H15NO2
MOLECULAR WEIGHT: 241.2851
SMILES: CCOC1=CC2=C3C(=C(C=C2C=N1)C)CCC3=O
Structure:
CAS RN: 55329-72-1
CAS Name: 2-(3-ethoxy-7-methyl-6-isoquinolinyl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(3-ethoxy-7-methyl-6-isoquinolyl)acetate
IUPAC Name: ethyl 2-(3-ethoxy-7-methylisoquinolin-6-yl)acetate
SYSTEMATIC NAME: ethyl 2-(3-ethoxy-7-methyl-isoquinolin-6-yl)ethanoate
MOLECULAR FORMULA: C16H19NO3
MOLECULAR WEIGHT: 273.32696
SMILES: CCOC1=CC2=CC(=C(C=C2C=N1)C)CC(=O)OCC
Structure:
CAS RN: 55329-71-0
CAS Name: 2-(3-ethoxy-7-methyl-1,4-dihydroisoquinolin-6-yl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(3-ethoxy-7-methyl-1,4-dihydroisoquinolin-6-yl)acetate
IUPAC Name: ethyl 2-(3-ethoxy-7-methyl-1,4-dihydroisoquinolin-6-yl)acetate
SYSTEMATIC NAME: ethyl 2-(3-ethoxy-7-methyl-1,4-dihydroisoquinolin-6-yl)ethanoate
MOLECULAR FORMULA: C16H21NO3
MOLECULAR WEIGHT: 275.34284
SMILES: CCOC1=NCC2=CC(=C(C=C2C1)CC(=O)OCC)C
Structure:
CAS RN: 55329-68-5
CAS Name: 2-(7-methyl-3-oxo-2,4-dihydro-1H-isoquinolin-6-yl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(7-methyl-3-oxo-2,4-dihydro-1H-isoquinolin-6-yl)acetate
IUPAC Name: ethyl 2-(7-methyl-3-oxo-2,4-dihydro-1H-isoquinolin-6-yl)acetate
SYSTEMATIC NAME: ethyl 2-(7-methyl-3-oxidanylidene-2,4-dihydro-1H-isoquinolin-6-yl)ethanoate
MOLECULAR FORMULA: C14H17NO3
MOLECULAR WEIGHT: 247.28968
SMILES: CCOC(=O)CC1=C(C=C2CNC(=O)CC2=C1)C
Structure:
CAS RN: 55329-67-4
CAS Name: N-[[2,4-bis(cyanomethyl)-5-methylphenyl]methyl]acetamide
OPENEYE Name: N-[[2,4-bis(cyanomethyl)-5-methyl-phenyl]methyl]acetamide
IUPAC Name: N-[[2,4-bis(cyanomethyl)-5-methylphenyl]methyl]acetamide
SYSTEMATIC NAME: N-[[2,4-bis(cyanomethyl)-5-methyl-phenyl]methyl]ethanamide
MOLECULAR FORMULA: C14H15N3O
MOLECULAR WEIGHT: 241.2884
SMILES: CC1=CC(=C(C=C1CC#N)CC#N)CNC(=O)C
Structure:
CAS RN: 55399-02-5
CAS Name: N-[[2,4-bis(chloromethyl)-5-methylphenyl]methyl]acetamide
OPENEYE Name: N-[[2,4-bis(chloromethyl)-5-methyl-phenyl]methyl]acetamide
IUPAC Name: N-[[2,4-bis(chloromethyl)-5-methylphenyl]methyl]acetamide
SYSTEMATIC NAME: N-[[2,4-bis(chloromethyl)-5-methyl-phenyl]methyl]ethanamide
MOLECULAR FORMULA: C12H15Cl2NO
MOLECULAR WEIGHT: 260.1596
SMILES: CC1=CC(=C(C=C1CCl)CCl)CNC(=O)C
Structure:
CAS RN: 295-91-0
CAS Name: 1,5,9,13-tetrathiacyclohexadecane
OPENEYE Name: 1,5,9,13-tetrathiacyclohexadecane
IUPAC Name: 1,5,9,13-tetrathiacyclohexadecane
SYSTEMATIC NAME: 1,5,9,13-tetrathiacyclohexadecane
MOLECULAR FORMULA: C12H24S4
MOLECULAR WEIGHT: 296.57896
SMILES: C1CSCCCSCCCSCCCSC1
Structure:
CAS RN: 75304-68-6
CAS Name: [3,5-dimethyl-4-(2-nitrophenyl)azo-1-pyrazolyl]-pyridin-4-ylmethanone
OPENEYE Name: [3,5-dimethyl-4-(2-nitrophenyl)azo-pyrazol-1-yl]-(4-pyridyl)methanone
IUPAC Name: [3,5-dimethyl-4-[(2-nitrophenyl)diazenyl]pyrazol-1-yl]-pyridin-4-ylmethanone
SYSTEMATIC NAME: [3,5-dimethyl-4-[(2-nitrophenyl)diazenyl]pyrazol-1-yl]-pyridin-4-yl-methanone
MOLECULAR FORMULA: C17H14N6O3
MOLECULAR WEIGHT: 350.33146
SMILES: CC1=C(C(=NN1C(=O)C2=CC=NC=C2)C)N=NC3=CC=CC=C3[N+](=O)[O-]
Structure:
CAS RN: 75304-70-0
CAS Name: [3,5-dimethyl-4-(4-nitrophenyl)azo-1-pyrazolyl]-pyridin-4-ylmethanone
OPENEYE Name: [3,5-dimethyl-4-(4-nitrophenyl)azo-pyrazol-1-yl]-(4-pyridyl)methanone
IUPAC Name: [3,5-dimethyl-4-[(4-nitrophenyl)diazenyl]pyrazol-1-yl]-pyridin-4-ylmethanone
SYSTEMATIC NAME: [3,5-dimethyl-4-[(4-nitrophenyl)diazenyl]pyrazol-1-yl]-pyridin-4-yl-methanone
MOLECULAR FORMULA: C17H14N6O3
MOLECULAR WEIGHT: 350.33146
SMILES: CC1=C(C(=NN1C(=O)C2=CC=NC=C2)C)N=NC3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 75304-65-3
CAS Name: [4-(2-chlorophenyl)azo-3,5-dimethyl-1-pyrazolyl]-pyridin-4-ylmethanone
OPENEYE Name: [4-(2-chlorophenyl)azo-3,5-dimethyl-pyrazol-1-yl]-(4-pyridyl)methanone
IUPAC Name: [4-[(2-chlorophenyl)diazenyl]-3,5-dimethylpyrazol-1-yl]-pyridin-4-ylmethanone
SYSTEMATIC NAME: [4-[(2-chlorophenyl)diazenyl]-3,5-dimethyl-pyrazol-1-yl]-pyridin-4-yl-methanone
MOLECULAR FORMULA: C17H14ClN5O
MOLECULAR WEIGHT: 339.77896
SMILES: CC1=C(C(=NN1C(=O)C2=CC=NC=C2)C)N=NC3=CC=CC=C3Cl
Structure:
CAS RN: 75304-77-7
CAS Name: [4-[4-(4-aminophenyl)phenyl]azo-3,5-dimethyl-1-pyrazolyl]-pyridin-4-ylmethanone
OPENEYE Name: [4-[4-(4-aminophenyl)phenyl]azo-3,5-dimethyl-pyrazol-1-yl]-(4-pyridyl)methanone
IUPAC Name: [4-[[4-(4-aminophenyl)phenyl]diazenyl]-3,5-dimethylpyrazol-1-yl]-pyridin-4-ylmethanone
SYSTEMATIC NAME: [4-[[4-(4-aminophenyl)phenyl]diazenyl]-3,5-dimethyl-pyrazol-1-yl]-pyridin-4-yl-methanone
MOLECULAR FORMULA: C23H20N6O
MOLECULAR WEIGHT: 396.4445
SMILES: CC1=C(C(=NN1C(=O)C2=CC=NC=C2)C)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N
Structure:
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