CAS RN: 13068-57-0
CAS Name: N-(1H-benzimidazol-2-yl)benzenesulfonamide
OPENEYE Name: N-(1H-benzimidazol-2-yl)benzenesulfonamide
IUPAC Name: N-(1H-benzimidazol-2-yl)benzenesulfonamide
SYSTEMATIC NAME: N-(1H-benzimidazol-2-yl)benzenesulfonamide
MOLECULAR FORMULA: C13H11N3O2S
MOLECULAR WEIGHT: 273.31034
SMILES: C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N2
Structure:
CAS RN: 714255-28-4
CAS Name: 4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
OPENEYE Name: 4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
IUPAC Name: 4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
SYSTEMATIC NAME: 4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
MOLECULAR FORMULA: C8H10N2O2
MOLECULAR WEIGHT: 166.1772
SMILES: C1CCC2=C(C1)C(=NN2)C(=O)O
Structure:
CAS RN: 5551-57-5
CAS Name: N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
OPENEYE Name: N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-acetamide
IUPAC Name: N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
SYSTEMATIC NAME: N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-ethanamide
MOLECULAR FORMULA: C13H15N3O2S
MOLECULAR WEIGHT: 277.3421
SMILES: COCCC1=NN=C(S1)NC(=O)CC2=CC=CC=C2
Structure:
CAS RN: 111628-39-8
CAS Name: 2-(1-piperazinyl)-1,3-benzoxazole
OPENEYE Name: 2-piperazin-1-yl-1,3-benzoxazole
IUPAC Name: 2-piperazin-1-yl-1,3-benzoxazole
SYSTEMATIC NAME: 2-piperazin-1-yl-1,3-benzoxazole
MOLECULAR FORMULA: C11H13N3O
MOLECULAR WEIGHT: 203.24042
SMILES: C1CN(CCN1)C2=NC3=CC=CC=C3O2
Structure:
CAS RN: 57295-61-1
CAS Name: 3-(4-methoxyphenyl)-4-methyl-5-(methylthio)-1,2,4-triazole
OPENEYE Name: 3-(4-methoxyphenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole
IUPAC Name: 3-(4-methoxyphenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole
SYSTEMATIC NAME: 3-(4-methoxyphenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole
MOLECULAR FORMULA: C11H13N3OS
MOLECULAR WEIGHT: 235.30542
SMILES: CN1C(=NN=C1SC)C2=CC=C(C=C2)OC
Structure:
CAS RN: 59908-54-2
CAS Name: 5-methoxy-1-methyl-2-indolecarboxylic acid
OPENEYE Name: 5-methoxy-1-methyl-indole-2-carboxylic acid
IUPAC Name: 5-methoxy-1-methylindole-2-carboxylic acid
SYSTEMATIC NAME: 5-methoxy-1-methyl-indole-2-carboxylic acid
MOLECULAR FORMULA: C11H11NO3
MOLECULAR WEIGHT: 205.20994
SMILES: CN1C2=C(C=C(C=C2)OC)C=C1C(=O)O
Structure:
CAS RN: 50982-79-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C7H15IN4
MOLECULAR WEIGHT: 282.12527
SMILES: C[N+]12CN3CN(C1)CN(C3)C2.[I-]
Structure:
CAS RN: 99855-02-4
CAS Name: 3-(2,3-dihydroindol-1-yl)propanoic acid
OPENEYE Name: 3-indolin-1-ylpropanoic acid
IUPAC Name: 3-(2,3-dihydroindol-1-yl)propanoic acid
SYSTEMATIC NAME: 3-(2,3-dihydroindol-1-yl)propanoic acid
MOLECULAR FORMULA: C11H13NO2
MOLECULAR WEIGHT: 191.22642
SMILES: C1CN(C2=CC=CC=C21)CCC(=O)O
Structure:
CAS RN: 5056-87-1
CAS Name: 4,6-dimethyl-3-(3-oxobutyl)-1H-quinolin-2-one
OPENEYE Name: 4,6-dimethyl-3-(3-oxobutyl)-1H-quinolin-2-one
IUPAC Name: 4,6-dimethyl-3-(3-oxobutyl)-1H-quinolin-2-one
SYSTEMATIC NAME: 4,6-dimethyl-3-(3-oxidanylidenebutyl)-1H-quinolin-2-one
MOLECULAR FORMULA: C15H17NO2
MOLECULAR WEIGHT: 243.30098
SMILES: CC1=CC2=C(C=C1)NC(=O)C(=C2C)CCC(=O)C
Structure:
CAS RN: 705270-06-0
CAS Name: 5-methyl-1-propyl-4-pyrazolecarboxylic acid
OPENEYE Name: 5-methyl-1-propyl-pyrazole-4-carboxylic acid
IUPAC Name: 5-methyl-1-propylpyrazole-4-carboxylic acid
SYSTEMATIC NAME: 5-methyl-1-propyl-pyrazole-4-carboxylic acid
MOLECULAR FORMULA: C8H12N2O2
MOLECULAR WEIGHT: 168.19308
SMILES: CCCN1C(=C(C=N1)C(=O)O)C
Structure:
CAS RN: 890621-13-3
CAS Name: 3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid
OPENEYE Name: 3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid
IUPAC Name: 3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid
SYSTEMATIC NAME: 3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid
MOLECULAR FORMULA: C10H7ClN2O2
MOLECULAR WEIGHT: 222.62778
SMILES: C1=CC=C(C(=C1)C2=NNC(=C2)C(=O)O)Cl
Structure:
CAS RN: 100390-48-5
CAS Name: 2-phenyl-2-(1-pyrrolidinyl)acetic acid
OPENEYE Name: 2-phenyl-2-pyrrolidin-1-yl-acetic acid
IUPAC Name: 2-phenyl-2-pyrrolidin-1-ylacetic acid
SYSTEMATIC NAME: 2-phenyl-2-pyrrolidin-1-yl-ethanoic acid
MOLECULAR FORMULA: C12H15NO2
MOLECULAR WEIGHT: 205.253
SMILES: C1CCN(C1)C(C2=CC=CC=C2)C(=O)O
Structure:
CAS RN: 95356-55-1
CAS Name: 1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-2-pyrrolidinone
OPENEYE Name: 1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-one
IUPAC Name: 1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-one
SYSTEMATIC NAME: 1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-one
MOLECULAR FORMULA: C13H14N4O
MOLECULAR WEIGHT: 242.27646
SMILES: C1CC(=O)N(C1)CC2=NC=NN2C3=CC=CC=C3
Structure:
CAS RN: 4144-68-7
CAS Name: 2-(2-benzotriazolyl)acetic acid
OPENEYE Name: 2-(benzotriazol-2-yl)acetic acid
IUPAC Name: 2-(benzotriazol-2-yl)acetic acid
SYSTEMATIC NAME: 2-(benzotriazol-2-yl)ethanoic acid
MOLECULAR FORMULA: C8H7N3O2
MOLECULAR WEIGHT: 177.16008
SMILES: C1=CC2=NN(N=C2C=C1)CC(=O)O
Structure:
CAS RN: 435341-86-9
CAS Name: 5-tert-butyl-2-methyl-4-(1-pyrrolidinylmethyl)-3-furancarboxylic acid
OPENEYE Name: 5-tert-butyl-2-methyl-4-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid
IUPAC Name: 5-tert-butyl-2-methyl-4-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid
SYSTEMATIC NAME: 5-tert-butyl-2-methyl-4-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid
MOLECULAR FORMULA: C15H23NO3
MOLECULAR WEIGHT: 265.34802
SMILES: CC1=C(C(=C(O1)C(C)(C)C)CN2CCCC2)C(=O)O
Structure:
CAS RN: 42329-05-5
CAS Name: (3,5-dimethyl-1-pyrazolyl)-pyridin-4-ylmethanone
OPENEYE Name: (3,5-dimethylpyrazol-1-yl)-(4-pyridyl)methanone
IUPAC Name: (3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone
SYSTEMATIC NAME: (3,5-dimethylpyrazol-1-yl)-pyridin-4-yl-methanone
MOLECULAR FORMULA: C11H11N3O
MOLECULAR WEIGHT: 201.22454
SMILES: CC1=CC(=NN1C(=O)C2=CC=NC=C2)C
Structure:
CAS RN: 6072-37-3
CAS Name: 2-(4-phenyl-1-piperazinyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
OPENEYE Name: 2-(4-phenylpiperazin-1-yl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
IUPAC Name: 2-(4-phenylpiperazin-1-yl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
SYSTEMATIC NAME: 2-(4-phenylpiperazin-1-yl)-4,6-bis[2,2,2-tris(fluoranyl)ethoxy]-1,3,5-triazine
MOLECULAR FORMULA: C17H17F6N5O2
MOLECULAR WEIGHT: 437.339599
SMILES: C1CN(CCN1C2=CC=CC=C2)C3=NC(=NC(=N3)OCC(F)(F)F)OCC(F)(F)F
Structure:
CAS RN: 436088-60-7
CAS Name: 5-oxo-5-(3-oxo-2,4-dihydroquinoxalin-1-yl)pentanoic acid
OPENEYE Name: 5-oxo-5-(3-oxo-2,4-dihydroquinoxalin-1-yl)pentanoic acid
IUPAC Name: 5-oxo-5-(3-oxo-2,4-dihydroquinoxalin-1-yl)pentanoic acid
SYSTEMATIC NAME: 5-oxidanylidene-5-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)pentanoic acid
MOLECULAR FORMULA: C13H14N2O4
MOLECULAR WEIGHT: 262.26126
SMILES: C1C(=O)NC2=CC=CC=C2N1C(=O)CCCC(=O)O
Structure:
CAS RN: 137522-83-9
CAS Name: 2-[[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]acetonitrile
OPENEYE Name: 2-[(4,6-dimorpholino-1,3,5-triazin-2-yl)oxy]acetonitrile
IUPAC Name: 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
SYSTEMATIC NAME: 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethanenitrile
MOLECULAR FORMULA: C13H18N6O3
MOLECULAR WEIGHT: 306.32042
SMILES: C1COCCN1C2=NC(=NC(=N2)OCC#N)N3CCOCC3
Structure:
CAS RN: 56426-35-8
CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid methyl ester
OPENEYE Name: methyl 3-phenyl-1H-pyrazole-5-carboxylate
IUPAC Name: methyl 3-phenyl-1H-pyrazole-5-carboxylate
SYSTEMATIC NAME: methyl 3-phenyl-1H-pyrazole-5-carboxylate
MOLECULAR FORMULA: C11H10N2O2
MOLECULAR WEIGHT: 202.2093
SMILES: COC(=O)C1=CC(=NN1)C2=CC=CC=C2
Structure:
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