CAS RN: 15328-32-2
CAS Name: 1-benzotriazolecarbonitrile
OPENEYE Name: benzotriazole-1-carbonitrile
IUPAC Name: benzotriazole-1-carbonitrile
SYSTEMATIC NAME: benzotriazole-1-carbonitrile
MOLECULAR FORMULA: C7H4N4
MOLECULAR WEIGHT: 144.13346
SMILES: C1=CC=C2C(=C1)N=NN2C#N
Structure:
CAS RN: 85826-37-5
CAS Name: 6-chloro-2-methyl-N-(phenylmethyl)-5-prop-2-enyl-4-pyrimidinamine
OPENEYE Name: 5-allyl-N-benzyl-6-chloro-2-methyl-pyrimidin-4-amine
IUPAC Name: N-benzyl-6-chloro-2-methyl-5-prop-2-enylpyrimidin-4-amine
SYSTEMATIC NAME: 6-chloranyl-2-methyl-N-(phenylmethyl)-5-prop-2-enyl-pyrimidin-4-amine
MOLECULAR FORMULA: C15H16ClN3
MOLECULAR WEIGHT: 273.76064
SMILES: CC1=NC(=C(C(=N1)Cl)CC=C)NCC2=CC=CC=C2
Structure:
CAS RN: 484-19-5
CAS Name: 3-(3-chloro-10-phenothiazinyl)-N,N-dimethyl-1-propanamine
OPENEYE Name: 3-(3-chlorophenothiazin-10-yl)-N,N-dimethyl-propan-1-amine
IUPAC Name: 3-(3-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine
SYSTEMATIC NAME: 3-(3-chloranylphenothiazin-10-yl)-N,N-dimethyl-propan-1-amine
MOLECULAR FORMULA: C17H19ClN2S
MOLECULAR WEIGHT: 318.86416
SMILES: CN(C)CCCN1C2=C(C=C(C=C2)Cl)SC3=CC=CC=C31
Structure:
CAS RN: 634884-72-3
CAS Name: 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanehydrazide
OPENEYE Name: 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanehydrazide
IUPAC Name: 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanehydrazide
SYSTEMATIC NAME: 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanehydrazide
MOLECULAR FORMULA: C8H14N4O
MOLECULAR WEIGHT: 182.22296
SMILES: CC1=C(C(=NN1)C)CCC(=O)NN
Structure:
CAS RN: 10378-79-7
CAS Name: N,N'-bis(2-methylphenyl)propanediamide
OPENEYE Name: N,N'-bis(o-tolyl)propanediamide
IUPAC Name: N,N'-bis(2-methylphenyl)propanediamide
SYSTEMATIC NAME: N,N'-bis(2-methylphenyl)propanediamide
MOLECULAR FORMULA: C17H18N2O2
MOLECULAR WEIGHT: 282.33702
SMILES: CC1=CC=CC=C1NC(=O)CC(=O)NC2=CC=CC=C2C
Structure:
CAS RN: 49672-05-1
CAS Name: 2-(1H-benzimidazol-2-yl)acetic acid methyl ester
OPENEYE Name: methyl 2-(1H-benzimidazol-2-yl)acetate
IUPAC Name: methyl 2-(1H-benzimidazol-2-yl)acetate
SYSTEMATIC NAME: methyl 2-(1H-benzimidazol-2-yl)ethanoate
MOLECULAR FORMULA: C10H10N2O2
MOLECULAR WEIGHT: 190.1986
SMILES: COC(=O)CC1=NC2=CC=CC=C2N1
Structure:
CAS RN: 102434-42-4
CAS Name: 1-tert-butyl-3-(1-naphthalenyl)urea
OPENEYE Name: 1-tert-butyl-3-(1-naphthyl)urea
IUPAC Name: 1-tert-butyl-3-naphthalen-1-ylurea
SYSTEMATIC NAME: 1-tert-butyl-3-naphthalen-1-yl-urea
MOLECULAR FORMULA: C15H18N2O
MOLECULAR WEIGHT: 242.31622
SMILES: CC(C)(C)NC(=O)NC1=CC=CC2=CC=CC=C21
Structure:
CAS RN: 6086-07-3
CAS Name: 7-ethoxy-6-ethyl-4-methyl-1-benzopyran-2-one
OPENEYE Name: 7-ethoxy-6-ethyl-4-methyl-chromen-2-one
IUPAC Name: 7-ethoxy-6-ethyl-4-methylchromen-2-one
SYSTEMATIC NAME: 7-ethoxy-6-ethyl-4-methyl-chromen-2-one
MOLECULAR FORMULA: C14H16O3
MOLECULAR WEIGHT: 232.27504
SMILES: CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OCC
Structure:
CAS RN: 5938-61-4
CAS Name: N-[(4-methoxyphenyl)methyl]-2-phenoxyacetamide
OPENEYE Name: N-[(4-methoxyphenyl)methyl]-2-phenoxy-acetamide
IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-phenoxyacetamide
SYSTEMATIC NAME: N-[(4-methoxyphenyl)methyl]-2-phenoxy-ethanamide
MOLECULAR FORMULA: C16H17NO3
MOLECULAR WEIGHT: 271.31108
SMILES: COC1=CC=C(C=C1)CNC(=O)COC2=CC=CC=C2
Structure:
CAS RN: 24950-30-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H6ClNO
MOLECULAR WEIGHT: 203.62444
SMILES: C1=CC2=C(C=CC3=C2C(=C1)C(=O)N3)Cl
Structure:
CAS RN: 27525-74-2
CAS Name: 2,6-dimethylpyridine-3,5-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 2,6-dimethylpyridine-3,5-dicarboxylate
IUPAC Name: dimethyl 2,6-dimethylpyridine-3,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 2,6-dimethylpyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C11H13NO4
MOLECULAR WEIGHT: 223.22522
SMILES: CC1=C(C=C(C(=N1)C)C(=O)OC)C(=O)OC
Structure:
CAS RN: 31140-40-6
CAS Name: 4-carbonochloridoyloxybenzoic acid methyl ester
OPENEYE Name: methyl 4-chlorocarbonyloxybenzoate
IUPAC Name: methyl 4-carbonochloridoyloxybenzoate
SYSTEMATIC NAME: methyl 4-carbonochloridoyloxybenzoate
MOLECULAR FORMULA: C9H7ClO4
MOLECULAR WEIGHT: 214.60248
SMILES: COC(=O)C1=CC=C(C=C1)OC(=O)Cl
Structure:
CAS RN: 35071-17-1
CAS Name: 6-methyl-1H-pyrimidine-2-thione
OPENEYE Name: 6-methyl-1H-pyrimidine-2-thione
IUPAC Name: 6-methyl-1H-pyrimidine-2-thione
SYSTEMATIC NAME: 6-methyl-1H-pyrimidine-2-thione
MOLECULAR FORMULA: C5H6N2S
MOLECULAR WEIGHT: 126.17954
SMILES: CC1=CC=NC(=S)N1
Structure:
CAS RN: 21083-47-6
CAS Name: 5,5-diphenyl-2-sulfanylidene-4-imidazolidinone
OPENEYE Name: 5,5-diphenyl-2-thioxo-imidazolidin-4-one
IUPAC Name: 5,5-diphenyl-2-sulfanylideneimidazolidin-4-one
SYSTEMATIC NAME: 5,5-diphenyl-2-sulfanylidene-imidazolidin-4-one
MOLECULAR FORMULA: C15H12N2OS
MOLECULAR WEIGHT: 268.33358
SMILES: C1=CC=C(C=C1)C2(C(=O)NC(=S)N2)C3=CC=CC=C3
Structure:
CAS RN: 489-17-8
CAS Name: 4-fluoro-2-methylbenzenesulfonamide
OPENEYE Name: 4-fluoro-2-methyl-benzenesulfonamide
IUPAC Name: 4-fluoro-2-methylbenzenesulfonamide
SYSTEMATIC NAME: 4-fluoranyl-2-methyl-benzenesulfonamide
MOLECULAR FORMULA: C7H8FNO2S
MOLECULAR WEIGHT: 189.207323
SMILES: CC1=C(C=CC(=C1)F)S(=O)(=O)N
Structure:
CAS RN: 766-36-9
CAS Name: 4-ethyl-3-methyl-1,2-dihydropyrrol-5-one
OPENEYE Name: 4-ethyl-3-methyl-1,2-dihydropyrrol-5-one
IUPAC Name: 4-ethyl-3-methyl-1,2-dihydropyrrol-5-one
SYSTEMATIC NAME: 4-ethyl-3-methyl-1,2-dihydropyrrol-5-one
MOLECULAR FORMULA: C7H11NO
MOLECULAR WEIGHT: 125.16834
SMILES: CCC1=C(CNC1=O)C
Structure:
CAS RN: 90012-40-1
CAS Name: 5-(4-methylphenyl)-2-phenyl-3-pyrazolamine
OPENEYE Name: 2-phenyl-5-(p-tolyl)pyrazol-3-amine
IUPAC Name: 5-(4-methylphenyl)-2-phenylpyrazol-3-amine
SYSTEMATIC NAME: 5-(4-methylphenyl)-2-phenyl-pyrazol-3-amine
MOLECULAR FORMULA: C16H15N3
MOLECULAR WEIGHT: 249.3104
SMILES: CC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC=CC=C3
Structure:
CAS RN: 89151-44-0
CAS Name: 4-(2-hydroxyethyl)-1-piperidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-(2-hydroxyethyl)piperidine-1-carboxylate
IUPAC Name: tert-butyl 4-(2-hydroxyethyl)piperidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-(2-hydroxyethyl)piperidine-1-carboxylate
MOLECULAR FORMULA: C12H23NO3
MOLECULAR WEIGHT: 229.31592
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)CCO
Structure:
CAS RN: 190064-28-9
CAS Name: 5-(3,4-dimethoxyphenyl)cyclohexane-1,3-dione
OPENEYE Name: 5-(3,4-dimethoxyphenyl)cyclohexane-1,3-dione
IUPAC Name: 5-(3,4-dimethoxyphenyl)cyclohexane-1,3-dione
SYSTEMATIC NAME: 5-(3,4-dimethoxyphenyl)cyclohexane-1,3-dione
MOLECULAR FORMULA: C14H16O4
MOLECULAR WEIGHT: 248.27444
SMILES: COC1=C(C=C(C=C1)C2CC(=O)CC(=O)C2)OC
Structure:
CAS RN: 33626-98-1
CAS Name: 6-bromo-2-naphthalenecarboxylic acid methyl ester
OPENEYE Name: methyl 6-bromonaphthalene-2-carboxylate
IUPAC Name: methyl 6-bromonaphthalene-2-carboxylate
SYSTEMATIC NAME: methyl 6-bromanylnaphthalene-2-carboxylate
MOLECULAR FORMULA: C12H9BrO2
MOLECULAR WEIGHT: 265.10266
SMILES: COC(=O)C1=CC2=C(C=C1)C=C(C=C2)Br
Structure:
CAS RN: 168466-84-0
CAS Name: (3R)-1-(phenylmethyl)-3-piperidinamine
OPENEYE Name: (3R)-1-benzylpiperidin-3-amine
IUPAC Name: (3R)-1-benzylpiperidin-3-amine
SYSTEMATIC NAME: (3R)-1-(phenylmethyl)piperidin-3-amine
MOLECULAR FORMULA: C12H18N2
MOLECULAR WEIGHT: 190.28472
SMILES: C1C[C@H](CN(C1)CC2=CC=CC=C2)N
Structure:
CAS RN: 105479-05-8
CAS Name: 2-(2-oxo-1-pyrrolidinyl)-N-(phenylmethyl)acetamide
OPENEYE Name: N-benzyl-2-(2-oxopyrrolidin-1-yl)acetamide
IUPAC Name: N-benzyl-2-(2-oxopyrrolidin-1-yl)acetamide
SYSTEMATIC NAME: 2-(2-oxidanylidenepyrrolidin-1-yl)-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C13H16N2O2
MOLECULAR WEIGHT: 232.27834
SMILES: C1CC(=O)N(C1)CC(=O)NCC2=CC=CC=C2
Structure:
CAS RN: 147081-44-5
CAS Name: (3S)-3-amino-1-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate
IUPAC Name: tert-butyl (3S)-3-aminopyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (3S)-3-azanylpyrrolidine-1-carboxylate
MOLECULAR FORMULA: C9H18N2O2
MOLECULAR WEIGHT: 186.25142
SMILES: CC(C)(C)OC(=O)N1CC[C@@H](C1)N
Structure:
CAS RN: 147081-49-0
CAS Name: (3R)-3-amino-1-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate
IUPAC Name: tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (3R)-3-azanylpyrrolidine-1-carboxylate
MOLECULAR FORMULA: C9H18N2O2
MOLECULAR WEIGHT: 186.25142
SMILES: CC(C)(C)OC(=O)N1CC[C@H](C1)N
Structure:
CAS RN: 614-35-7
CAS Name: 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
OPENEYE Name: 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
IUPAC Name: 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
SYSTEMATIC NAME: 4-[(1R)-2-(methylamino)-1-oxidanyl-ethyl]phenol
MOLECULAR FORMULA: C9H13NO2
MOLECULAR WEIGHT: 167.20502
SMILES: CNC[C@@H](C1=CC=C(C=C1)O)O
Structure:
CAS RN: 101469-92-5
CAS Name: (3S)-3-hydroxy-1-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate
IUPAC Name: tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (3S)-3-oxidanylpyrrolidine-1-carboxylate
MOLECULAR FORMULA: C9H17NO3
MOLECULAR WEIGHT: 187.23618
SMILES: CC(C)(C)OC(=O)N1CC[C@@H](C1)O
Structure:
CAS RN: 38628-51-2
CAS Name: 4-(2-carboxyethyl)benzoic acid
OPENEYE Name: 4-(2-carboxyethyl)benzoic acid
IUPAC Name: 4-(2-carboxyethyl)benzoic acid
SYSTEMATIC NAME: 4-(3-hydroxy-3-oxopropyl)benzoic acid
MOLECULAR FORMULA: C10H10O4
MOLECULAR WEIGHT: 194.184
SMILES: C1=CC(=CC=C1CCC(=O)O)C(=O)O
Structure:
CAS RN: 83459-29-4
CAS Name: (3,4-diethoxyphenyl)methanol
OPENEYE Name: (3,4-diethoxyphenyl)methanol
IUPAC Name: (3,4-diethoxyphenyl)methanol
SYSTEMATIC NAME: (3,4-diethoxyphenyl)methanol
MOLECULAR FORMULA: C11H16O3
MOLECULAR WEIGHT: 196.24294
SMILES: CCOC1=C(C=C(C=C1)CO)OCC
Structure:
CAS RN: 20173-24-4
CAS Name: 2-(3-pyridinyl)ethanamine
OPENEYE Name: 2-(3-pyridyl)ethanamine
IUPAC Name: 2-pyridin-3-ylethanamine
SYSTEMATIC NAME: 2-pyridin-3-ylethanamine
MOLECULAR FORMULA: C7H10N2
MOLECULAR WEIGHT: 122.1677
SMILES: C1=CC(=CN=C1)CCN
Structure:
No comments:
Post a Comment