CAS RN: 6616-44-0
CAS Name: 3-(1H-benzimidazol-2-yl)phenol
OPENEYE Name: 3-(1H-benzimidazol-2-yl)phenol
IUPAC Name: 3-(1H-benzimidazol-2-yl)phenol
SYSTEMATIC NAME: 3-(1H-benzimidazol-2-yl)phenol
MOLECULAR FORMULA: C13H10N2O
MOLECULAR WEIGHT: 210.2313
SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)O
Structure:
CAS RN: 55905-47-0
CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperazine
OPENEYE Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methyl-piperazine
IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperazine
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-4-methyl-piperazine
MOLECULAR FORMULA: C13H18N2O2
MOLECULAR WEIGHT: 234.29422
SMILES: CN1CCN(CC1)CC2=CC3=C(C=C2)OCO3
Structure:
CAS RN: 52671-72-4
CAS Name: 2-hydroxy-4-oxo-1-propyl-N-pyridin-4-yl-3-quinolinecarboxamide
OPENEYE Name: 2-hydroxy-4-oxo-1-propyl-N-(4-pyridyl)quinoline-3-carboxamide
IUPAC Name: 2-hydroxy-4-oxo-1-propyl-N-pyridin-4-ylquinoline-3-carboxamide
SYSTEMATIC NAME: 2-oxidanyl-4-oxidanylidene-1-propyl-N-pyridin-4-yl-quinoline-3-carboxamide
MOLECULAR FORMULA: C18H17N3O3
MOLECULAR WEIGHT: 323.34588
SMILES: CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC=NC=C3
Structure:
CAS RN: 2941-62-0
CAS Name: 2-methyl-1,3-benzothiazol-6-amine
OPENEYE Name: 2-methyl-1,3-benzothiazol-6-amine
IUPAC Name: 2-methyl-1,3-benzothiazol-6-amine
SYSTEMATIC NAME: 2-methyl-1,3-benzothiazol-6-amine
MOLECULAR FORMULA: C8H8N2S
MOLECULAR WEIGHT: 164.22752
SMILES: CC1=NC2=C(S1)C=C(C=C2)N
Structure:
CAS RN: 28102-96-7
CAS Name: 6-methoxy-2-methyl-1H-quinoline-4-thione
OPENEYE Name: 6-methoxy-2-methyl-1H-quinoline-4-thione
IUPAC Name: 6-methoxy-2-methyl-1H-quinoline-4-thione
SYSTEMATIC NAME: 6-methoxy-2-methyl-1H-quinoline-4-thione
MOLECULAR FORMULA: C11H11NOS
MOLECULAR WEIGHT: 205.27614
SMILES: CC1=CC(=S)C2=C(N1)C=CC(=C2)OC
Structure:
CAS RN: 63951-00-8
CAS Name: 3-(3-hydroxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
OPENEYE Name: 3-(3-hydroxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
IUPAC Name: 3-(3-hydroxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
SYSTEMATIC NAME: 3-(3-hydroxyphenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione
MOLECULAR FORMULA: C13H16N2OS
MOLECULAR WEIGHT: 248.34394
SMILES: CC1=CC(NC(=S)N1C2=CC(=CC=C2)O)(C)C
Structure:
CAS RN: 529512-81-0
CAS Name: 1-(1-adamantyl)-3-aminothiourea
OPENEYE Name: 1-(1-adamantyl)-3-amino-thiourea
IUPAC Name: 1-(1-adamantyl)-3-aminothiourea
SYSTEMATIC NAME: 1-(1-adamantyl)-3-azanyl-thiourea
MOLECULAR FORMULA: C11H19N3S
MOLECULAR WEIGHT: 225.35366
SMILES: C1C2CC3CC1CC(C2)(C3)NC(=S)NN
Structure:
CAS RN: 14178-18-8
CAS Name: 2-phenylmethoxy-3-pyridinecarboxylic acid
OPENEYE Name: 2-benzyloxypyridine-3-carboxylic acid
IUPAC Name: 2-phenylmethoxypyridine-3-carboxylic acid
SYSTEMATIC NAME: 2-phenylmethoxypyridine-3-carboxylic acid
MOLECULAR FORMULA: C13H11NO3
MOLECULAR WEIGHT: 229.23134
SMILES: C1=CC=C(C=C1)COC2=C(C=CC=N2)C(=O)O
Structure:
CAS RN: 531-05-5
CAS Name: (4-fluorophenyl)-(3-pyridinyl)methanone
OPENEYE Name: (4-fluorophenyl)-(3-pyridyl)methanone
IUPAC Name: (4-fluorophenyl)-pyridin-3-ylmethanone
SYSTEMATIC NAME: (4-fluorophenyl)-pyridin-3-yl-methanone
MOLECULAR FORMULA: C12H8FNO
MOLECULAR WEIGHT: 201.196423
SMILES: C1=CC(=CN=C1)C(=O)C2=CC=C(C=C2)F
Structure:
CAS RN: 34576-89-1
CAS Name: 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid
OPENEYE Name: 3,7-dichloro-6-methoxy-benzothiophene-2-carboxylic acid
IUPAC Name: 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid
SYSTEMATIC NAME: 3,7-bis(chloranyl)-6-methoxy-1-benzothiophene-2-carboxylic acid
MOLECULAR FORMULA: C10H6Cl2O3S
MOLECULAR WEIGHT: 277.12384
SMILES: COC1=C(C2=C(C=C1)C(=C(S2)C(=O)O)Cl)Cl
Structure:
CAS RN: 13754-38-6
CAS Name: phenyl(1-piperazinyl)methanone
OPENEYE Name: phenyl(piperazin-1-yl)methanone
IUPAC Name: phenyl(piperazin-1-yl)methanone
SYSTEMATIC NAME: phenyl(piperazin-1-yl)methanone
MOLECULAR FORMULA: C11H14N2O
MOLECULAR WEIGHT: 190.24166
SMILES: C1CN(CCN1)C(=O)C2=CC=CC=C2
Structure:
CAS RN: 120729-94-4
CAS Name: 5-(diethylsulfamoyl)-1H-indole-3-carboxylic acid
OPENEYE Name: 5-(diethylsulfamoyl)-1H-indole-3-carboxylic acid
IUPAC Name: 5-(diethylsulfamoyl)-1H-indole-3-carboxylic acid
SYSTEMATIC NAME: 5-(diethylsulfamoyl)-1H-indole-3-carboxylic acid
MOLECULAR FORMULA: C13H16N2O4S
MOLECULAR WEIGHT: 296.34214
SMILES: CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC=C2C(=O)O
Structure:
CAS RN: 6946-30-1
CAS Name: 1-ethoxy-4-[(E)-2-nitroethenyl]benzene
OPENEYE Name: 1-ethoxy-4-[(E)-2-nitrovinyl]benzene
IUPAC Name: 1-ethoxy-4-[(E)-2-nitroethenyl]benzene
SYSTEMATIC NAME: 1-ethoxy-4-[(E)-2-nitroethenyl]benzene
MOLECULAR FORMULA: C10H11NO3
MOLECULAR WEIGHT: 193.19924
SMILES: CCOC1=CC=C(C=C1)/C=C/[N+](=O)[O-]
Structure:
CAS RN: 5205-10-7
CAS Name: (2E)-2-(2-azepanylidene)-3-oxo-3-phenylpropanenitrile
OPENEYE Name: (2E)-2-(azepan-2-ylidene)-3-oxo-3-phenyl-propanenitrile
IUPAC Name: (2E)-2-(azepan-2-ylidene)-3-oxo-3-phenylpropanenitrile
SYSTEMATIC NAME: (2E)-2-(azepan-2-ylidene)-3-oxidanylidene-3-phenyl-propanenitrile
MOLECULAR FORMULA: C15H16N2O
MOLECULAR WEIGHT: 240.30034
SMILES: C1CC/C(=C(/C#N)\C(=O)C2=CC=CC=C2)/NCC1
Structure:
CAS RN: 5934-10-1
CAS Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid
OPENEYE Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
SYSTEMATIC NAME: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid
MOLECULAR FORMULA: C13H15N3O2S
MOLECULAR WEIGHT: 277.3421
SMILES: CCN1C(=NN=C1SCC(=O)O)CC2=CC=CC=C2
Structure:
CAS RN: 3012-80-4
CAS Name: 1-methyl-2-benzimidazolecarboxaldehyde
OPENEYE Name: 1-methylbenzimidazole-2-carbaldehyde
IUPAC Name: 1-methylbenzimidazole-2-carbaldehyde
SYSTEMATIC NAME: 1-methylbenzimidazole-2-carbaldehyde
MOLECULAR FORMULA: C9H8N2O
MOLECULAR WEIGHT: 160.17262
SMILES: CN1C2=CC=CC=C2N=C1C=O
Structure:
CAS RN: 53857-57-1
CAS Name: 5-bromo-1H-indazole
OPENEYE Name: 5-bromo-1H-indazole
IUPAC Name: 5-bromo-1H-indazole
SYSTEMATIC NAME: 5-bromanyl-1H-indazole
MOLECULAR FORMULA: C7H5BrN2
MOLECULAR WEIGHT: 197.032
SMILES: C1=CC2=C(C=C1Br)C=NN2
Structure:
CAS RN: 58877-91-1
CAS Name: 1-[2-(4-bromophenoxy)ethyl]-2-benzimidazolamine
OPENEYE Name: 1-[2-(4-bromophenoxy)ethyl]benzimidazol-2-amine
IUPAC Name: 1-[2-(4-bromophenoxy)ethyl]benzimidazol-2-amine
SYSTEMATIC NAME: 1-[2-(4-bromanylphenoxy)ethyl]benzimidazol-2-amine
MOLECULAR FORMULA: C15H14BrN3O
MOLECULAR WEIGHT: 332.19516
SMILES: C1=CC=C2C(=C1)N=C(N2CCOC3=CC=C(C=C3)Br)N
Structure:
CAS RN: 5701-03-1
CAS Name: 1-[(4-chlorophenyl)methyl]-3-methyl-2-benzimidazolone
OPENEYE Name: 1-[(4-chlorophenyl)methyl]-3-methyl-benzimidazol-2-one
IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-2-one
SYSTEMATIC NAME: 1-[(4-chlorophenyl)methyl]-3-methyl-benzimidazol-2-one
MOLECULAR FORMULA: C15H13ClN2O
MOLECULAR WEIGHT: 272.72952
SMILES: CN1C2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)Cl
Structure:
CAS RN: 15644-88-9
CAS Name: 7-chloro-2-methyl-1H-quinolin-4-one
OPENEYE Name: 7-chloro-2-methyl-1H-quinolin-4-one
IUPAC Name: 7-chloro-2-methyl-1H-quinolin-4-one
SYSTEMATIC NAME: 7-chloranyl-2-methyl-1H-quinolin-4-one
MOLECULAR FORMULA: C10H8ClNO
MOLECULAR WEIGHT: 193.62962
SMILES: CC1=CC(=O)C2=C(N1)C=C(C=C2)Cl
Structure:
CAS RN: 200933-14-8
CAS Name: 2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
OPENEYE Name: 2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
IUPAC Name: 2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SYSTEMATIC NAME: 2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
MOLECULAR FORMULA: C16H16F3NO2S
MOLECULAR WEIGHT: 343.36395
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC(=C2)C(F)(F)F)C
Structure:
CAS RN: 5697-07-4
CAS Name: N-(3-chlorophenyl)-4-(4-fluorophenyl)-1-piperazinecarboxamide
OPENEYE Name: N-(3-chlorophenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide
IUPAC Name: N-(3-chlorophenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide
SYSTEMATIC NAME: N-(3-chlorophenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide
MOLECULAR FORMULA: C17H17ClFN3O
MOLECULAR WEIGHT: 333.787783
SMILES: C1CN(CCN1C2=CC=C(C=C2)F)C(=O)NC3=CC(=CC=C3)Cl
Structure:
CAS RN: 5999-51-9
CAS Name: 6-chloro-3,5,7-trimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
OPENEYE Name: 6-chloro-3,5,7-trimethyl-2-phenyl-pyrazolo[1,5-a]pyrimidine
IUPAC Name: 6-chloro-3,5,7-trimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
SYSTEMATIC NAME: 6-chloranyl-3,5,7-trimethyl-2-phenyl-pyrazolo[1,5-a]pyrimidine
MOLECULAR FORMULA: C15H14ClN3
MOLECULAR WEIGHT: 271.74476
SMILES: CC1=C2N=C(C(=C(N2N=C1C3=CC=CC=C3)C)Cl)C
Structure:
CAS RN: 5926-07-8
CAS Name: 5-methyl-2-phenyl-3-furancarboxylic acid
OPENEYE Name: 5-methyl-2-phenyl-furan-3-carboxylic acid
IUPAC Name: 5-methyl-2-phenylfuran-3-carboxylic acid
SYSTEMATIC NAME: 5-methyl-2-phenyl-furan-3-carboxylic acid
MOLECULAR FORMULA: C12H10O3
MOLECULAR WEIGHT: 202.206
SMILES: CC1=CC(=C(O1)C2=CC=CC=C2)C(=O)O
Structure:
CAS RN: 86329-53-5
CAS Name: 1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
OPENEYE Name: 1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
IUPAC Name: 1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
SYSTEMATIC NAME: 1-(2-azanyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
MOLECULAR FORMULA: C16H16N2O
MOLECULAR WEIGHT: 252.31104
SMILES: CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)N
Structure:
CAS RN: 350997-10-3
CAS Name: 2-amino-4-(4-chlorophenyl)-3-thiophenecarboxylic acid methyl ester
OPENEYE Name: methyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate
IUPAC Name: methyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-azanyl-4-(4-chlorophenyl)thiophene-3-carboxylate
MOLECULAR FORMULA: C12H10ClNO2S
MOLECULAR WEIGHT: 267.7313
SMILES: COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)N
Structure:
CAS RN: 104089-74-9
CAS Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)-2-propenenitrile
OPENEYE Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)prop-2-enenitrile
IUPAC Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)prop-2-enenitrile
SYSTEMATIC NAME: (Z)-3-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)prop-2-enenitrile
MOLECULAR FORMULA: C16H10ClNO2
MOLECULAR WEIGHT: 283.7091
SMILES: C1OC2=C(O1)C=C(C=C2)/C=C(\C#N)/C3=CC=C(C=C3)Cl
Structure:
CAS RN: 61938-69-0
CAS Name: 3-amino-4-methyl-8-(3-pyridinyl)-7,9-dioxa-2,4-diazaspiro[4.5]dec-2-en-1-one
OPENEYE Name: 3-amino-4-methyl-8-(3-pyridyl)-7,9-dioxa-2,4-diazaspiro[4.5]dec-2-en-1-one
IUPAC Name: 3-amino-4-methyl-8-pyridin-3-yl-7,9-dioxa-2,4-diazaspiro[4.5]dec-2-en-1-one
SYSTEMATIC NAME: 3-azanyl-4-methyl-8-pyridin-3-yl-7,9-dioxa-2,4-diazaspiro[4.5]dec-2-en-1-one
MOLECULAR FORMULA: C12H14N4O3
MOLECULAR WEIGHT: 262.26456
SMILES: CN1C(=NC(=O)C12COC(OC2)C3=CN=CC=C3)N
Structure:
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