CAS RN: 5641-52-1
CAS Name: N-[3-amino-5-(4-fluorophenoxy)phenyl]-4-pyridinecarboxamide
OPENEYE Name: N-[3-amino-5-(4-fluorophenoxy)phenyl]pyridine-4-carboxamide
IUPAC Name: N-[3-amino-5-(4-fluorophenoxy)phenyl]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[3-azanyl-5-(4-fluoranylphenoxy)phenyl]pyridine-4-carboxamide
MOLECULAR FORMULA: C18H14FN3O2
MOLECULAR WEIGHT: 323.321063
SMILES: C1=CC(=CC=C1OC2=CC(=CC(=C2)NC(=O)C3=CC=NC=C3)N)F
Structure:
CAS RN: 5941-14-0
CAS Name: 2-[[[(2,4-dichloroanilino)-oxomethyl]-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-4-thiazolecarboxamide
OPENEYE Name: 2-[[(2,4-dichlorophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)thiazole-4-carboxamide
IUPAC Name: 2-[[(2,4-dichlorophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: 2-[[(2,4-dichlorophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C20H26Cl2N4O4S
MOLECULAR WEIGHT: 489.41584
SMILES: COCCCNC(=O)C1=CSC(=N1)CN(CCCOC)C(=O)NC2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 6630-70-2
CAS Name: 1-(3-chlorophenyl)-5-methyl-4-pyrazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-(3-chlorophenyl)-5-methyl-pyrazole-4-carboxylate
IUPAC Name: ethyl 1-(3-chlorophenyl)-5-methylpyrazole-4-carboxylate
SYSTEMATIC NAME: ethyl 1-(3-chlorophenyl)-5-methyl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C13H13ClN2O2
MOLECULAR WEIGHT: 264.70752
SMILES: CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)Cl)C
Structure:
CAS RN: 6629-47-6
CAS Name: 3-[(4-chlorophenyl)thio]-1-(3,4-dimethoxyphenyl)-1-propanone
OPENEYE Name: 3-(4-chlorophenyl)sulfanyl-1-(3,4-dimethoxyphenyl)propan-1-one
IUPAC Name: 3-(4-chlorophenyl)sulfanyl-1-(3,4-dimethoxyphenyl)propan-1-one
SYSTEMATIC NAME: 3-(4-chlorophenyl)sulfanyl-1-(3,4-dimethoxyphenyl)propan-1-one
MOLECULAR FORMULA: C17H17ClO3S
MOLECULAR WEIGHT: 336.83308
SMILES: COC1=C(C=C(C=C1)C(=O)CCSC2=CC=C(C=C2)Cl)OC
Structure:
CAS RN: 6253-60-7
CAS Name: N-[[5-[[2-(4-bromoanilino)-2-oxoethyl]thio]-1,3,4-oxadiazol-2-yl]methyl]-2-furancarboxamide
OPENEYE Name: N-[[5-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
IUPAC Name: N-[[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[[5-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
MOLECULAR FORMULA: C16H13BrN4O4S
MOLECULAR WEIGHT: 437.26782
SMILES: C1=COC(=C1)C(=O)NCC2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)Br
Structure:
CAS RN: 6454-41-7
CAS Name: 2-(2-chlorophenyl)-4-[(2-ethoxyphenyl)methylidene]-5-methyl-3-pyrazolone
OPENEYE Name: 2-(2-chlorophenyl)-4-[(2-ethoxyphenyl)methylene]-5-methyl-pyrazol-3-one
IUPAC Name: 2-(2-chlorophenyl)-4-[(2-ethoxyphenyl)methylidene]-5-methylpyrazol-3-one
SYSTEMATIC NAME: 2-(2-chlorophenyl)-4-[(2-ethoxyphenyl)methylidene]-5-methyl-pyrazol-3-one
MOLECULAR FORMULA: C19H17ClN2O2
MOLECULAR WEIGHT: 340.80348
SMILES: CCOC1=CC=CC=C1C=C2C(=NN(C2=O)C3=CC=CC=C3Cl)C
Structure:
CAS RN: 6524-75-0
CAS Name: 1-(4-chlorophenyl)-3-(5,7-dinitro-8-quinolinyl)urea
OPENEYE Name: 1-(4-chlorophenyl)-3-(5,7-dinitro-8-quinolyl)urea
IUPAC Name: 1-(4-chlorophenyl)-3-(5,7-dinitroquinolin-8-yl)urea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-(5,7-dinitroquinolin-8-yl)urea
MOLECULAR FORMULA: C16H10ClN5O5
MOLECULAR WEIGHT: 387.7341
SMILES: C1=CC2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NC(=O)NC3=CC=C(C=C3)Cl)N=C1
Structure:
CAS RN: 6524-74-9
CAS Name: 1-(3,4-dichlorophenyl)-3-(5,7-dinitro-8-quinolinyl)urea
OPENEYE Name: 1-(3,4-dichlorophenyl)-3-(5,7-dinitro-8-quinolyl)urea
IUPAC Name: 1-(3,4-dichlorophenyl)-3-(5,7-dinitroquinolin-8-yl)urea
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-3-(5,7-dinitroquinolin-8-yl)urea
MOLECULAR FORMULA: C16H9Cl2N5O5
MOLECULAR WEIGHT: 422.17916
SMILES: C1=CC2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])NC(=O)NC3=CC(=C(C=C3)Cl)Cl)N=C1
Structure:
CAS RN: 5069-34-1
CAS Name: 2-(4-methyl-2-pyrrolidinyl)phenol
OPENEYE Name: 2-(4-methylpyrrolidin-2-yl)phenol
IUPAC Name: 2-(4-methylpyrrolidin-2-yl)phenol
SYSTEMATIC NAME: 2-(4-methylpyrrolidin-2-yl)phenol
MOLECULAR FORMULA: C11H15NO
MOLECULAR WEIGHT: 177.2429
SMILES: CC1CC(NC1)C2=CC=CC=C2O
Structure:
CAS RN: 5753-43-5
CAS Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-4-methylpentanamide
OPENEYE Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-4-methyl-pentanamide
IUPAC Name: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-4-methylpentanamide
SYSTEMATIC NAME: 2-(3,3-dimethyl-4H-isoquinolin-1-yl)-4-methyl-pentanamide
MOLECULAR FORMULA: C17H24N2O
MOLECULAR WEIGHT: 272.38526
SMILES: CC(C)CC(C1=NC(CC2=CC=CC=C21)(C)C)C(=O)N
Structure:
CAS RN: 5749-75-7
CAS Name: 2-[[2-(1,4-dioxo-4-thiophen-2-ylbutoxy)-1-oxopropyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[2-[4-oxo-4-(2-thienyl)butanoyl]oxypropanoylamino]-5-phenyl-thiophene-3-carboxylate
IUPAC Name: ethyl 2-[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxypropanoylamino]-5-phenylthiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[2-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)oxypropanoylamino]-5-phenyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C24H23NO6S2
MOLECULAR WEIGHT: 485.57252
SMILES: CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)OC(=O)CCC(=O)C3=CC=CS3
Structure:
CAS RN: 5201-14-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C49H64N2O9S
MOLECULAR WEIGHT: 857.10546
SMILES: CCCN(C1CC(=NOCC)C2=CC(C(C3C2C1(OC4=C3C=C(C=C4)OC5=CC=C(C=C5)SC)OCC=C)CCCCO)CCCCO)C(=O)OCCOCC6=CC=CC=C6
Structure:
CAS RN: 5254-55-7
CAS Name: 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-sulfanylidene-2-pyrimidinone
OPENEYE Name: 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-thioxo-pyrimidin-2-one
IUPAC Name: 5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
SYSTEMATIC NAME: 5-fluoranyl-1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-4-sulfanylidene-pyrimidin-2-one
MOLECULAR FORMULA: C9H11FN2O4S
MOLECULAR WEIGHT: 262.258043
SMILES: C1C(C(OC1N2C=C(C(=S)NC2=O)F)CO)O
Structure:
CAS RN: 5810-52-6
CAS Name: 2-[(dicyclohexylamino)-oxomethyl]benzoic acid 3-methylbutyl ester
OPENEYE Name: isopentyl 2-(dicyclohexylcarbamoyl)benzoate
IUPAC Name: 3-methylbutyl 2-(dicyclohexylcarbamoyl)benzoate
SYSTEMATIC NAME: 3-methylbutyl 2-(dicyclohexylcarbamoyl)benzoate
MOLECULAR FORMULA: C25H37NO3
MOLECULAR WEIGHT: 399.56618
SMILES: CC(C)CCOC(=O)C1=CC=CC=C1C(=O)N(C2CCCCC2)C3CCCCC3
Structure:
CAS RN: 5986-88-9
CAS Name: 1-[[5-(4-methoxyphenyl)-2-(4-nitrophenyl)-3-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-[5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylate
IUPAC Name: ethyl 1-[5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylate
SYSTEMATIC NAME: ethyl 1-[5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-yl]carbonylpiperidine-3-carboxylate
MOLECULAR FORMULA: C25H26N4O6
MOLECULAR WEIGHT: 478.49714
SMILES: CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC
Structure:
CAS RN: 5986-27-6
CAS Name: 2-(3,4-dichlorophenyl)-5-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)-3-pyrazolecarboxamide
OPENEYE Name: 2-(3,4-dichlorophenyl)-5-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide
IUPAC Name: 2-(3,4-dichlorophenyl)-5-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide
SYSTEMATIC NAME: 2-(3,4-dichlorophenyl)-5-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide
MOLECULAR FORMULA: C24H18Cl2FN3O3
MOLECULAR WEIGHT: 486.322423
SMILES: COC1=CC(=C(C=C1)C2=NN(C(=C2)C(=O)NC3=CC=C(C=C3)F)C4=CC(=C(C=C4)Cl)Cl)OC
Structure:
CAS RN: 5983-82-4
CAS Name: 2-[(3,3-dimethyl-1-oxobutyl)amino]-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
OPENEYE Name: 2-(3,3-dimethylbutanoylamino)-3-methyl-N-[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]pentanamide
IUPAC Name: 2-(3,3-dimethylbutanoylamino)-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
SYSTEMATIC NAME: 2-(3,3-dimethylbutanoylamino)-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
MOLECULAR FORMULA: C21H30N4O2S
MOLECULAR WEIGHT: 402.5535
SMILES: CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC(=CC=C2)C)NC(=O)CC(C)(C)C
Structure:
CAS RN: 5660-35-5
CAS Name: 4-methyl-2-[[(3-pentyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate
OPENEYE Name: 4-methyl-2-[[(3-pentyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate
IUPAC Name: 4-methyl-2-[[(3-pentyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate
SYSTEMATIC NAME: 4-methyl-2-[[(3-pentyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate
MOLECULAR FORMULA: C20H25N3O
MOLECULAR WEIGHT: 323.432
SMILES: CCCCC[N+]1=C(NC2=CC=CC=C21)NCC3=C(C=CC(=C3)C)[O-]
Structure:
CAS RN: 5205-66-3
CAS Name: 2-phenyl-3H-2-benzothiophen-2-ium-1-one
OPENEYE Name: 2-phenyl-3H-2-benzothiophen-2-ium-1-one
IUPAC Name: 2-phenyl-3H-2-benzothiophen-2-ium-1-one
SYSTEMATIC NAME: 2-phenyl-3H-2-benzothiophen-2-ium-1-one
MOLECULAR FORMULA: C14H11OS+
MOLECULAR WEIGHT: 227.30154
SMILES: C1C2=CC=CC=C2C(=O)[S+]1C3=CC=CC=C3
Structure:
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