CAS RN: 5907-72-2
CAS Name: 1-(3-cyanophenyl)-3-[4-[4-[2-(3-methylphenyl)-1-oxoethyl]-1-piperazinyl]phenyl]urea
OPENEYE Name: 1-(3-cyanophenyl)-3-[4-[4-[2-(m-tolyl)acetyl]piperazin-1-yl]phenyl]urea
IUPAC Name: 1-(3-cyanophenyl)-3-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea
SYSTEMATIC NAME: 1-(3-cyanophenyl)-3-[4-[4-[2-(3-methylphenyl)ethanoyl]piperazin-1-yl]phenyl]urea
MOLECULAR FORMULA: C27H27N5O2
MOLECULAR WEIGHT: 453.53558
SMILES: CC1=CC(=CC=C1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)NC4=CC=CC(=C4)C#N
Structure:
CAS RN: 5906-30-9
CAS Name: N-cyclopropyl-2-[[(2,4-difluoroanilino)-oxomethyl]-propan-2-ylamino]-N-[(1-methyl-2-pyrrolyl)methyl]acetamide
OPENEYE Name: N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoyl-isopropyl-amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
IUPAC Name: N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SYSTEMATIC NAME: 2-[[2,4-bis(fluoranyl)phenyl]carbamoyl-propan-2-yl-amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]ethanamide
MOLECULAR FORMULA: C21H26F2N4O2
MOLECULAR WEIGHT: 404.453546
SMILES: CC(C)N(CC(=O)N(CC1=CC=CN1C)C2CC2)C(=O)NC3=C(C=C(C=C3)F)F
Structure:
CAS RN: 5899-57-0
CAS Name: 1-[4-(4-methyl-1-piperidinyl)-3-[oxo(1-pyrrolidinyl)methyl]phenyl]-3-(4-propan-2-ylphenyl)urea
OPENEYE Name: 1-(4-isopropylphenyl)-3-[4-(4-methyl-1-piperidyl)-3-(pyrrolidine-1-carbonyl)phenyl]urea
IUPAC Name: 1-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-propan-2-ylphenyl)urea
SYSTEMATIC NAME: 1-[4-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]-3-(4-propan-2-ylphenyl)urea
MOLECULAR FORMULA: C27H36N4O2
MOLECULAR WEIGHT: 448.60034
SMILES: CC1CCN(CC1)C2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(C)C)C(=O)N4CCCC4
Structure:
CAS RN: 964-42-1
CAS Name: 2,5-diphenyl-3-pyrazolecarboxylic acid
OPENEYE Name: 2,5-diphenylpyrazole-3-carboxylic acid
IUPAC Name: 2,5-diphenylpyrazole-3-carboxylic acid
SYSTEMATIC NAME: 2,5-diphenylpyrazole-3-carboxylic acid
MOLECULAR FORMULA: C16H12N2O2
MOLECULAR WEIGHT: 264.27868
SMILES: C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)O)C3=CC=CC=C3
Structure:
CAS RN: 21487-49-0
CAS Name: 3-(4-nitrophenyl)-1-phenyl-4-pyrazolecarboxaldehyde
OPENEYE Name: 3-(4-nitrophenyl)-1-phenyl-pyrazole-4-carbaldehyde
IUPAC Name: 3-(4-nitrophenyl)-1-phenylpyrazole-4-carbaldehyde
SYSTEMATIC NAME: 3-(4-nitrophenyl)-1-phenyl-pyrazole-4-carbaldehyde
MOLECULAR FORMULA: C16H11N3O3
MOLECULAR WEIGHT: 293.27684
SMILES: C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C=O
Structure:
CAS RN: 5586-93-6
CAS Name: 2-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
OPENEYE Name: methyl 2-[(2-oxochromene-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
IUPAC Name: methyl 2-[(2-oxochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-[(2-oxidanylidenechromen-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C20H17NO5S
MOLECULAR WEIGHT: 383.41768
SMILES: COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC4=CC=CC=C4OC3=O
Structure:
CAS RN: 443998-73-0
CAS Name: 3-(4-aminophenyl)benzonitrile
OPENEYE Name: 3-(4-aminophenyl)benzonitrile
IUPAC Name: 3-(4-aminophenyl)benzonitrile
SYSTEMATIC NAME: 3-(4-aminophenyl)benzenecarbonitrile
MOLECULAR FORMULA: C13H10N2
MOLECULAR WEIGHT: 194.2319
SMILES: C1=CC(=CC(=C1)C2=CC=C(C=C2)N)C#N
Structure:
CAS RN: 20854-60-8
CAS Name: [4-(4-methoxyphenyl)phenyl]methanol
OPENEYE Name: [4-(4-methoxyphenyl)phenyl]methanol
IUPAC Name: [4-(4-methoxyphenyl)phenyl]methanol
SYSTEMATIC NAME: [4-(4-methoxyphenyl)phenyl]methanol
MOLECULAR FORMULA: C14H14O2
MOLECULAR WEIGHT: 214.25976
SMILES: COC1=CC=C(C=C1)C2=CC=C(C=C2)CO
Structure:
CAS RN: 6044-21-9
CAS Name: N-[5-[[(2-fluorophenyl)methylthio]methyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
OPENEYE Name: N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
IUPAC Name: N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
SYSTEMATIC NAME: N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
MOLECULAR FORMULA: C17H20FN3OS2
MOLECULAR WEIGHT: 365.488603
SMILES: C1CCC(CC1)C(=O)NC2=NN=C(S2)CSCC3=CC=CC=C3F
Structure:
CAS RN: 438218-20-3
CAS Name: 5-methyl-4-(4-propan-2-ylphenyl)-2-thiazolamine
OPENEYE Name: 4-(4-isopropylphenyl)-5-methyl-thiazol-2-amine
IUPAC Name: 5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
SYSTEMATIC NAME: 5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
MOLECULAR FORMULA: C13H16N2S
MOLECULAR WEIGHT: 232.34454
SMILES: CC1=C(N=C(S1)N)C2=CC=C(C=C2)C(C)C
Structure:
CAS RN: 970-85-4
CAS Name: (E)-1-(1-piperidinyl)-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-1-(1-piperidyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-1-piperidin-1-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-piperidin-1-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C17H23NO4
MOLECULAR WEIGHT: 305.36882
SMILES: COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCCCC2
Structure:
CAS RN: 86847-59-8
CAS Name: 2,2-dimethyl-N-(2-pyridinyl)propanamide
OPENEYE Name: 2,2-dimethyl-N-(2-pyridyl)propanamide
IUPAC Name: 2,2-dimethyl-N-pyridin-2-ylpropanamide
SYSTEMATIC NAME: 2,2-dimethyl-N-pyridin-2-yl-propanamide
MOLECULAR FORMULA: C10H14N2O
MOLECULAR WEIGHT: 178.23096
SMILES: CC(C)(C)C(=O)NC1=CC=CC=N1
Structure:
CAS RN: 39503-52-1
CAS Name: 5-bromo-2-hydroxy-4-methoxybenzoic acid methyl ester
OPENEYE Name: methyl 5-bromo-2-hydroxy-4-methoxy-benzoate
IUPAC Name: methyl 5-bromo-2-hydroxy-4-methoxybenzoate
SYSTEMATIC NAME: methyl 5-bromanyl-4-methoxy-2-oxidanyl-benzoate
MOLECULAR FORMULA: C9H9BrO4
MOLECULAR WEIGHT: 261.06936
SMILES: COC1=C(C=C(C(=C1)O)C(=O)OC)Br
Structure:
CAS RN: 2892-29-7
CAS Name: 1-(3-chloro-4-hydroxyphenyl)ethanone
OPENEYE Name: 1-(3-chloro-4-hydroxy-phenyl)ethanone
IUPAC Name: 1-(3-chloro-4-hydroxyphenyl)ethanone
SYSTEMATIC NAME: 1-(3-chloranyl-4-oxidanyl-phenyl)ethanone
MOLECULAR FORMULA: C8H7ClO2
MOLECULAR WEIGHT: 170.59298
SMILES: CC(=O)C1=CC(=C(C=C1)O)Cl
Structure:
CAS RN: 26452-81-3
CAS Name: 4-chloro-6-methoxypyrimidine
OPENEYE Name: 4-chloro-6-methoxy-pyrimidine
IUPAC Name: 4-chloro-6-methoxypyrimidine
SYSTEMATIC NAME: 4-chloranyl-6-methoxy-pyrimidine
MOLECULAR FORMULA: C5H5ClN2O
MOLECULAR WEIGHT: 144.559
SMILES: COC1=CC(=NC=N1)Cl
Structure:
CAS RN: 6430-21-3
CAS Name: 1-(benzenesulfonyl)-3-(4-chlorophenyl)-5-(methylthio)-1,2,4-triazole
OPENEYE Name: 1-(benzenesulfonyl)-3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole
IUPAC Name: 1-(benzenesulfonyl)-3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole
SYSTEMATIC NAME: 3-(4-chlorophenyl)-5-methylsulfanyl-1-(phenylsulfonyl)-1,2,4-triazole
MOLECULAR FORMULA: C15H12ClN3O2S2
MOLECULAR WEIGHT: 365.85768
SMILES: CSC1=NC(=NN1S(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 5521-62-0
CAS Name: 2-(difluoromethyl)-5-methoxycarbonyl-4-(2-methylpropyl)-6-(trifluoromethyl)-3-pyridinecarboxylic acid
OPENEYE Name: 2-(difluoromethyl)-4-isobutyl-5-methoxycarbonyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
IUPAC Name: 2-(difluoromethyl)-5-methoxycarbonyl-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SYSTEMATIC NAME: 2-[bis(fluoranyl)methyl]-5-methoxycarbonyl-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
MOLECULAR FORMULA: C14H14F5NO4
MOLECULAR WEIGHT: 355.257276
SMILES: CC(C)CC1=C(C(=NC(=C1C(=O)OC)C(F)(F)F)C(F)F)C(=O)O
Structure:
CAS RN: 5669-12-5
CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-1-[2-(4-methylphenoxy)ethyl]benzimidazole
OPENEYE Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole
IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole
SYSTEMATIC NAME: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-[2-(4-methylphenoxy)ethyl]benzimidazole
MOLECULAR FORMULA: C24H22N4OS
MOLECULAR WEIGHT: 414.52268
SMILES: CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5N4
Structure:
CAS RN: 5655-31-2
CAS Name: 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
OPENEYE Name: 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
IUPAC Name: 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
SYSTEMATIC NAME: 2-chloranyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
MOLECULAR FORMULA: C15H11ClN2O3S2
MOLECULAR WEIGHT: 366.84244
SMILES: CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3Cl
Structure:
CAS RN: 6044-34-4
CAS Name: (Z)-2-[4-morpholinyl(oxo)methyl]-3-[5-(4-nitrophenyl)-2-furanyl]-2-propenenitrile
OPENEYE Name: (Z)-2-(morpholine-4-carbonyl)-3-[5-(4-nitrophenyl)-2-furyl]prop-2-enenitrile
IUPAC Name: (Z)-2-(morpholine-4-carbonyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
SYSTEMATIC NAME: (Z)-2-morpholin-4-ylcarbonyl-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
MOLECULAR FORMULA: C18H15N3O5
MOLECULAR WEIGHT: 353.3288
SMILES: C1COCCN1C(=O)/C(=C\C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])/C#N
Structure:
CAS RN: 5673-17-6
CAS Name: (5,7-diphenyl-2-pyrazolo[1,5-a]pyrimidinyl)-(1-pyrrolidinyl)methanone
OPENEYE Name: (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-pyrrolidin-1-yl-methanone
IUPAC Name: (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone
SYSTEMATIC NAME: (5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)-pyrrolidin-1-yl-methanone
MOLECULAR FORMULA: C23H20N4O
MOLECULAR WEIGHT: 368.4311
SMILES: C1CCN(C1)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 5635-62-1
CAS Name: 5-(2,3-dimethoxyphenyl)-1,2,3,4-tetrahydrobenzo[a]phenanthridine
OPENEYE Name: 5-(2,3-dimethoxyphenyl)-1,2,3,4-tetrahydrobenzo[a]phenanthridine
IUPAC Name: 5-(2,3-dimethoxyphenyl)-1,2,3,4-tetrahydrobenzo[a]phenanthridine
SYSTEMATIC NAME: 5-(2,3-dimethoxyphenyl)-1,2,3,4-tetrahydrobenzo[a]phenanthridine
MOLECULAR FORMULA: C25H23NO2
MOLECULAR WEIGHT: 369.45562
SMILES: COC1=CC=CC(=C1OC)C2=C3CCCCC3=C4C(=N2)C=CC5=CC=CC=C54
Structure:
CAS RN: 5259-82-5
CAS Name: N-(3-bromo-4-methylphenyl)-1-(2-chloro-5-nitrophenyl)methanimine
OPENEYE Name: N-(3-bromo-4-methyl-phenyl)-1-(2-chloro-5-nitro-phenyl)methanimine
IUPAC Name: N-(3-bromo-4-methylphenyl)-1-(2-chloro-5-nitrophenyl)methanimine
SYSTEMATIC NAME: N-(3-bromanyl-4-methyl-phenyl)-1-(2-chloranyl-5-nitro-phenyl)methanimine
MOLECULAR FORMULA: C14H10BrClN2O2
MOLECULAR WEIGHT: 353.5984
SMILES: CC1=C(C=C(C=C1)N=CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)Br
Structure:
CAS RN: 5578-55-2
CAS Name: N-(4-chlorophenyl)-5-[[oxo(thiophen-2-yl)methyl]amino]-1-phenyl-4-pyrazolecarboxamide
OPENEYE Name: N-(4-chlorophenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide
IUPAC Name: N-(4-chlorophenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-1-phenyl-5-(thiophen-2-ylcarbonylamino)pyrazole-4-carboxamide
MOLECULAR FORMULA: C21H15ClN4O2S
MOLECULAR WEIGHT: 422.8874
SMILES: C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=C(C=C3)Cl)NC(=O)C4=CC=CS4
Structure:
CAS RN: 5302-53-4
CAS Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-naphthalenecarboxamide
OPENEYE Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
SYSTEMATIC NAME: N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
MOLECULAR FORMULA: C24H16N2O2
MOLECULAR WEIGHT: 364.39604
SMILES: C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4
Structure:
CAS RN: 5335-47-7
CAS Name: N-(2,5-dichlorophenyl)-2-naphthalenesulfonamide
OPENEYE Name: N-(2,5-dichlorophenyl)naphthalene-2-sulfonamide
IUPAC Name: N-(2,5-dichlorophenyl)naphthalene-2-sulfonamide
SYSTEMATIC NAME: N-[2,5-bis(chloranyl)phenyl]naphthalene-2-sulfonamide
MOLECULAR FORMULA: C16H11Cl2NO2S
MOLECULAR WEIGHT: 352.23504
SMILES: C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NC3=C(C=CC(=C3)Cl)Cl
Structure:
CAS RN: 5544-61-6
CAS Name: N-(3-chlorophenyl)-2-(4-methoxyphenyl)-4-quinolinecarboxamide
OPENEYE Name: N-(3-chlorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
IUPAC Name: N-(3-chlorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
SYSTEMATIC NAME: N-(3-chlorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
MOLECULAR FORMULA: C23H17ClN2O2
MOLECULAR WEIGHT: 388.84628
SMILES: COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC=C4)Cl
Structure:
CAS RN: 5601-24-1
CAS Name: 4-methoxy-N-[5-[2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide
OPENEYE Name: 4-methoxy-N-[5-[2-[2-[(2-methoxyphenyl)methylene]hydrazino]-2-oxo-ethyl]-1,3,4-thiadiazol-2-yl]benzamide
IUPAC Name: 4-methoxy-N-[5-[2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide
SYSTEMATIC NAME: 4-methoxy-N-[5-[2-[2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxidanylidene-ethyl]-1,3,4-thiadiazol-2-yl]benzamide
MOLECULAR FORMULA: C20H19N5O4S
MOLECULAR WEIGHT: 425.46096
SMILES: COC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CC(=O)NN=CC3=CC=CC=C3OC
Structure:
CAS RN: 115764-97-1
CAS Name: 8-chloro-6-(3-chloro-4-methoxyphenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
OPENEYE Name: 8-chloro-6-(3-chloro-4-methoxy-phenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
IUPAC Name: 8-chloro-6-(3-chloro-4-methoxyphenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
SYSTEMATIC NAME: 8-chloranyl-6-(3-chloranyl-4-methoxy-phenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
MOLECULAR FORMULA: C18H14Cl2N4O
MOLECULAR WEIGHT: 373.23596
SMILES: CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC(=C(C=C4)OC)Cl
Structure:
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