CAS RN: 3656-15-3
CAS Name: 3,5-dimethyl-4-(4-methylphenyl)azo-1-pyrazolecarboximidamide hydrochloride
OPENEYE Name: 3,5-dimethyl-4-(p-tolylazo)pyrazole-1-carboxamidine hydrochloride
IUPAC Name: 3,5-dimethyl-4-[(4-methylphenyl)diazenyl]pyrazole-1-carboximidamide hydrochloride
SYSTEMATIC NAME: 3,5-dimethyl-4-[(4-methylphenyl)diazenyl]pyrazole-1-carboximidamide hydrochloride
MOLECULAR FORMULA: C13H17ClN6
MOLECULAR WEIGHT: 292.76728
SMILES: CC1=CC=C(C=C1)N=NC2=C(N(N=C2C)C(=N)N)C.Cl
Structure:
CAS RN: 3656-14-2
CAS Name: 3,5-dimethyl-4-(3-methylphenyl)azo-1-pyrazolecarboximidamide hydrochloride
OPENEYE Name: 3,5-dimethyl-4-(m-tolylazo)pyrazole-1-carboxamidine hydrochloride
IUPAC Name: 3,5-dimethyl-4-[(3-methylphenyl)diazenyl]pyrazole-1-carboximidamide hydrochloride
SYSTEMATIC NAME: 3,5-dimethyl-4-[(3-methylphenyl)diazenyl]pyrazole-1-carboximidamide hydrochloride
MOLECULAR FORMULA: C13H17ClN6
MOLECULAR WEIGHT: 292.76728
SMILES: CC1=CC(=CC=C1)N=NC2=C(N(N=C2C)C(=N)N)C.Cl
Structure:
CAS RN: 3656-13-1
CAS Name: 3,5-dimethyl-4-phenyldiazenyl-1-pyrazolecarboximidamide hydrochloride
OPENEYE Name: 3,5-dimethyl-4-phenylazo-pyrazole-1-carboxamidine hydrochloride
IUPAC Name: 3,5-dimethyl-4-phenyldiazenylpyrazole-1-carboximidamide hydrochloride
SYSTEMATIC NAME: 3,5-dimethyl-4-phenyldiazenyl-pyrazole-1-carboximidamide hydrochloride
MOLECULAR FORMULA: C12H15ClN6
MOLECULAR WEIGHT: 278.7407
SMILES: CC1=C(C(=NN1C(=N)N)C)N=NC2=CC=CC=C2.Cl
Structure:
CAS RN: 3654-20-4
CAS Name: 4-[3-(4-chlorophenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione
OPENEYE Name: 4-[3-(4-chlorophenyl)-3-oxo-propyl]-1,2-diphenyl-pyrazolidine-3,5-dione
IUPAC Name: 4-[3-(4-chlorophenyl)-3-oxopropyl]-1,2-diphenylpyrazolidine-3,5-dione
SYSTEMATIC NAME: 4-[3-(4-chlorophenyl)-3-oxidanylidene-propyl]-1,2-diphenyl-pyrazolidine-3,5-dione
MOLECULAR FORMULA: C24H19ClN2O3
MOLECULAR WEIGHT: 418.87226
SMILES: C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCC(=O)C4=CC=C(C=C4)Cl
Structure:
CAS RN: 3652-92-4
CAS Name: 1,3-dimethyl-2-phenyl-2H-benzimidazole
OPENEYE Name: 1,3-dimethyl-2-phenyl-2H-benzimidazole
IUPAC Name: 1,3-dimethyl-2-phenyl-2H-benzimidazole
SYSTEMATIC NAME: 1,3-dimethyl-2-phenyl-2H-benzimidazole
MOLECULAR FORMULA: C15H16N2
MOLECULAR WEIGHT: 224.30094
SMILES: CN1C(N(C2=CC=CC=C21)C)C3=CC=CC=C3
Structure:
CAS RN: 3652-27-5
CAS Name: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]pyridine
OPENEYE Name: 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pyridine
IUPAC Name: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine
SYSTEMATIC NAME: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine
MOLECULAR FORMULA: C12H9N5S
MOLECULAR WEIGHT: 255.29836
SMILES: C1=CC=NC(=C1)SC2=NNC(=N2)C3=CC=NC=C3
Structure:
CAS RN: 3652-25-3
CAS Name: 4-[3-(prop-2-enylthio)-1H-1,2,4-triazol-5-yl]pyridine
OPENEYE Name: 4-(3-allylsulfanyl-1H-1,2,4-triazol-5-yl)pyridine
IUPAC Name: 4-(3-prop-2-enylsulfanyl-1H-1,2,4-triazol-5-yl)pyridine
SYSTEMATIC NAME: 4-(3-prop-2-enylsulfanyl-1H-1,2,4-triazol-5-yl)pyridine
MOLECULAR FORMULA: C10H10N4S
MOLECULAR WEIGHT: 218.2782
SMILES: C=CCSC1=NNC(=N1)C2=CC=NC=C2
Structure:
CAS RN: 3652-23-1
CAS Name: 4-[3-(propylthio)-1H-1,2,4-triazol-5-yl]pyridine
OPENEYE Name: 4-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)pyridine
IUPAC Name: 4-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)pyridine
SYSTEMATIC NAME: 4-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)pyridine
MOLECULAR FORMULA: C10H12N4S
MOLECULAR WEIGHT: 220.29408
SMILES: CCCSC1=NNC(=N1)C2=CC=NC=C2
Structure:
CAS RN: 3652-22-0
CAS Name: 4-[3-(ethylthio)-1H-1,2,4-triazol-5-yl]pyridine
OPENEYE Name: 4-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)pyridine
IUPAC Name: 4-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)pyridine
SYSTEMATIC NAME: 4-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)pyridine
MOLECULAR FORMULA: C9H10N4S
MOLECULAR WEIGHT: 206.2675
SMILES: CCSC1=NNC(=N1)C2=CC=NC=C2
Structure:
CAS RN: 3652-17-3
CAS Name: 5-pyridin-4-yl-1H-1,2,4-triazol-3-amine
OPENEYE Name: 5-(4-pyridyl)-1H-1,2,4-triazol-3-amine
IUPAC Name: 5-pyridin-4-yl-1H-1,2,4-triazol-3-amine
SYSTEMATIC NAME: 5-pyridin-4-yl-1H-1,2,4-triazol-3-amine
MOLECULAR FORMULA: C7H7N5
MOLECULAR WEIGHT: 161.16398
SMILES: C1=CN=CC=C1C2=NC(=NN2)N
Structure:
CAS RN: 3652-15-1
CAS Name: 5-(4-quinolinyl)-1,3,4-thiadiazol-2-amine hydrochloride
OPENEYE Name: 5-(4-quinolyl)-1,3,4-thiadiazol-2-amine hydrochloride
IUPAC Name: 5-quinolin-4-yl-1,3,4-thiadiazol-2-amine hydrochloride
SYSTEMATIC NAME: 5-quinolin-4-yl-1,3,4-thiadiazol-2-amine hydrochloride
MOLECULAR FORMULA: C11H9ClN4S
MOLECULAR WEIGHT: 264.73396
SMILES: C1=CC=C2C(=C1)C(=CC=N2)C3=NN=C(S3)N.Cl
Structure:
CAS RN: 68787-52-0
CAS Name: 5-(3-pyridinyl)-1,3,4-thiadiazol-2-amine
OPENEYE Name: 5-(3-pyridyl)-1,3,4-thiadiazol-2-amine
IUPAC Name: 5-pyridin-3-yl-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: 5-pyridin-3-yl-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C7H6N4S
MOLECULAR WEIGHT: 178.21434
SMILES: C1=CC(=CN=C1)C2=NN=C(S2)N
Structure:
CAS RN: 3652-12-8
CAS Name: 5-(3-pyridinyl)-1,3,4-thiadiazol-2-amine dihydrochloride
OPENEYE Name: 5-(3-pyridyl)-1,3,4-thiadiazol-2-amine dihydrochloride
IUPAC Name: 5-pyridin-3-yl-1,3,4-thiadiazol-2-amine dihydrochloride
SYSTEMATIC NAME: 5-pyridin-3-yl-1,3,4-thiadiazol-2-amine dihydrochloride
MOLECULAR FORMULA: C7H8Cl2N4S
MOLECULAR WEIGHT: 251.13622
SMILES: C1=CC(=CN=C1)C2=NN=C(S2)N.Cl.Cl
Structure:
CAS RN: 25468-22-8
CAS Name: 5-(2-pyridinyl)-1,3,4-thiadiazol-2-amine
OPENEYE Name: 5-(2-pyridyl)-1,3,4-thiadiazol-2-amine
IUPAC Name: 5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: 5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C7H6N4S
MOLECULAR WEIGHT: 178.21434
SMILES: C1=CC=NC(=C1)C2=NN=C(S2)N
Structure:
CAS RN: 3652-11-7
CAS Name: 5-(2-pyridinyl)-1,3,4-thiadiazol-2-amine hydrochloride
OPENEYE Name: 5-(2-pyridyl)-1,3,4-thiadiazol-2-amine hydrochloride
IUPAC Name: 5-pyridin-2-yl-1,3,4-thiadiazol-2-amine hydrochloride
SYSTEMATIC NAME: 5-pyridin-2-yl-1,3,4-thiadiazol-2-amine hydrochloride
MOLECULAR FORMULA: C7H7ClN4S
MOLECULAR WEIGHT: 214.67528
SMILES: C1=CC=NC(=C1)C2=NN=C(S2)N.Cl
Structure:
CAS RN: 3645-89-4
CAS Name: 2-(2-oxo-1-phenylcyclohexyl)acetic acid
OPENEYE Name: 2-(2-oxo-1-phenyl-cyclohexyl)acetic acid
IUPAC Name: 2-(2-oxo-1-phenylcyclohexyl)acetic acid
SYSTEMATIC NAME: 2-(2-oxidanylidene-1-phenyl-cyclohexyl)ethanoic acid
MOLECULAR FORMULA: C14H16O3
MOLECULAR WEIGHT: 232.27504
SMILES: C1CCC(C(=O)C1)(CC(=O)O)C2=CC=CC=C2
Structure:
CAS RN: 3645-87-2
CAS Name: 2-(2-oxo-1-phenylcyclopentyl)acetic acid
OPENEYE Name: 2-(2-oxo-1-phenyl-cyclopentyl)acetic acid
IUPAC Name: 2-(2-oxo-1-phenylcyclopentyl)acetic acid
SYSTEMATIC NAME: 2-(2-oxidanylidene-1-phenyl-cyclopentyl)ethanoic acid
MOLECULAR FORMULA: C13H14O3
MOLECULAR WEIGHT: 218.24846
SMILES: C1CC(=O)C(C1)(CC(=O)O)C2=CC=CC=C2
Structure:
CAS RN: 3645-83-8
CAS Name: 3-[2-oxo-1-(phenylmethyl)cyclopentyl]propanoic acid
OPENEYE Name: 3-(1-benzyl-2-oxo-cyclopentyl)propanoic acid
IUPAC Name: 3-(1-benzyl-2-oxocyclopentyl)propanoic acid
SYSTEMATIC NAME: 3-[2-oxidanylidene-1-(phenylmethyl)cyclopentyl]propanoic acid
MOLECULAR FORMULA: C15H18O3
MOLECULAR WEIGHT: 246.30162
SMILES: C1CC(=O)C(C1)(CCC(=O)O)CC2=CC=CC=C2
Structure:
CAS RN: 3641-49-4
CAS Name: 5-[(2S)-2-amino-2-carboxyethyl]-2-hydroxybenzoic acid
OPENEYE Name: 5-[(2S)-2-amino-2-carboxy-ethyl]-2-hydroxy-benzoic acid
IUPAC Name: 5-[(2S)-2-amino-2-carboxyethyl]-2-hydroxybenzoic acid
SYSTEMATIC NAME: 5-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C10H11NO5
MOLECULAR WEIGHT: 225.19804
SMILES: C1=CC(=C(C=C1C[C@@H](C(=O)O)N)C(=O)O)O
Structure:
CAS RN: 3641-48-3
CAS Name: 2-acetyloxy-5-(2-amino-2-carboxyethyl)benzoic acid
OPENEYE Name: 2-acetoxy-5-(2-amino-2-carboxy-ethyl)benzoic acid
IUPAC Name: 2-acetyloxy-5-(2-amino-2-carboxyethyl)benzoic acid
SYSTEMATIC NAME: 2-acetyloxy-5-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)benzoic acid
MOLECULAR FORMULA: C12H13NO6
MOLECULAR WEIGHT: 267.23472
SMILES: CC(=O)OC1=C(C=C(C=C1)CC(C(=O)O)N)C(=O)O
Structure:
CAS RN: 3639-67-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H21Cl2NO
MOLECULAR WEIGHT: 326.26074
SMILES: CC1C2CC3=C(C1(CCN2CC=C(Cl)Cl)C)C=C(C=C3)O
Structure:
CAS RN: 3638-98-0
CAS Name: 2,4,6-trichlorobenzene-1,3,5-tricarbonitrile
OPENEYE Name: 2,4,6-trichlorobenzene-1,3,5-tricarbonitrile
IUPAC Name: 2,4,6-trichlorobenzene-1,3,5-tricarbonitrile
SYSTEMATIC NAME: 2,4,6-tris(chloranyl)benzene-1,3,5-tricarbonitrile
MOLECULAR FORMULA: C9Cl3N3
MOLECULAR WEIGHT: 256.4754
SMILES: C(#N)C1=C(C(=C(C(=C1Cl)C#N)Cl)C#N)Cl
Structure:
CAS RN: 7232-91-9
CAS Name: 2,4,6-trichlorobenzene-1,3,5-tricarbonitrile
OPENEYE Name: 2,4,6-trichlorobenzene-1,3,5-tricarbonitrile
IUPAC Name: 2,4,6-trichlorobenzene-1,3,5-tricarbonitrile
SYSTEMATIC NAME: 2,4,6-tris(chloranyl)benzene-1,3,5-tricarbonitrile
MOLECULAR FORMULA: C9Cl3N3
MOLECULAR WEIGHT: 256.4754
SMILES: C(#N)C1=C(C(=C(C(=C1Cl)C#N)Cl)C#N)Cl
Structure:
CAS RN: 3635-73-2
CAS Name: diethyl-methyl-[[3-[(2-methylphenoxy)methyl]-3-oxetanyl]methyl]ammonium bromide
OPENEYE Name: diethyl-methyl-[[3-[(2-methylphenoxy)methyl]oxetan-3-yl]methyl]ammonium bromide
IUPAC Name: diethyl-methyl-[[3-[(2-methylphenoxy)methyl]oxetan-3-yl]methyl]azanium bromide
SYSTEMATIC NAME: diethyl-methyl-[[3-[(2-methylphenoxy)methyl]oxetan-3-yl]methyl]azanium bromide
MOLECULAR FORMULA: C17H28BrNO2
MOLECULAR WEIGHT: 358.31372
SMILES: CC[N+](C)(CC)CC1(COC1)COC2=CC=CC=C2C.[Br-]
Structure:
CAS RN: 3626-80-0
CAS Name: trimethyl(2-methylsulfonyloxyethyl)ammonium chloride
OPENEYE Name: trimethyl(2-methylsulfonyloxyethyl)ammonium chloride
IUPAC Name: trimethyl(2-methylsulfonyloxyethyl)azanium chloride
SYSTEMATIC NAME: trimethyl(2-methylsulfonyloxyethyl)azanium chloride
MOLECULAR FORMULA: C6H16ClNO3S
MOLECULAR WEIGHT: 217.71414
SMILES: C[N+](C)(C)CCOS(=O)(=O)C.[Cl-]
Structure:
CAS RN: 3626-70-8
CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-N-[3-(1-piperidinyl)propyl]aniline
OPENEYE Name: N-[2-(4-chlorophenyl)sulfanylethyl]-N-[3-(1-piperidyl)propyl]aniline
IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-N-(3-piperidin-1-ylpropyl)aniline
SYSTEMATIC NAME: N-[2-(4-chlorophenyl)sulfanylethyl]-N-(3-piperidin-1-ylpropyl)aniline
MOLECULAR FORMULA: C22H29ClN2S
MOLECULAR WEIGHT: 388.99706
SMILES: C1CCN(CC1)CCCN(CCSC2=CC=C(C=C2)Cl)C3=CC=CC=C3
Structure:
CAS RN: 3626-53-7
CAS Name: 3,4,4-trimethyl-2-phenylmorpholin-4-ium bromide
OPENEYE Name: 3,4,4-trimethyl-2-phenyl-morpholin-4-ium bromide
IUPAC Name: 3,4,4-trimethyl-2-phenylmorpholin-4-ium bromide
SYSTEMATIC NAME: 3,4,4-trimethyl-2-phenyl-morpholin-4-ium bromide
MOLECULAR FORMULA: C13H20BrNO
MOLECULAR WEIGHT: 286.208
SMILES: CC1C(OCC[N+]1(C)C)C2=CC=CC=C2.[Br-]
Structure:
CAS RN: 3626-06-0
CAS Name: 2,2-diphenylacetic acid 2-(1-piperidinyl)ethyl ester hydrochloride
OPENEYE Name: 2-(1-piperidyl)ethyl 2,2-diphenylacetate hydrochloride
IUPAC Name: 2-piperidin-1-ylethyl 2,2-diphenylacetate hydrochloride
SYSTEMATIC NAME: 2-piperidin-1-ylethyl 2,2-diphenylethanoate hydrochloride
MOLECULAR FORMULA: C21H26ClNO2
MOLECULAR WEIGHT: 359.88964
SMILES: C1CCN(CC1)CCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl
Structure:
CAS RN: 3620-54-0
CAS Name: 2-phenylhexanoic acid 3-(diethylamino)propyl ester hydrochloride
OPENEYE Name: 3-(diethylamino)propyl 2-phenylhexanoate hydrochloride
IUPAC Name: 3-(diethylamino)propyl 2-phenylhexanoate hydrochloride
SYSTEMATIC NAME: 3-(diethylamino)propyl 2-phenylhexanoate hydrochloride
MOLECULAR FORMULA: C19H32ClNO2
MOLECULAR WEIGHT: 341.91588
SMILES: CCCCC(C1=CC=CC=C1)C(=O)OCCCN(CC)CC.Cl
Structure:
CAS RN: 3614-74-2
CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidine
OPENEYE Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidine
IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidine
SYSTEMATIC NAME: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidine
MOLECULAR FORMULA: C13H17NO2
MOLECULAR WEIGHT: 219.27958
SMILES: C1CCN(C1)CC2COC3=CC=CC=C3O2
Structure:
CAS RN: 3614-68-4
CAS Name: 4-butyl-5-hydroxy-1-(4-hydroxyphenyl)-2-phenyl-3-pyrazolone; 1-phenyl-2-(2-pyridinylamino)ethanol
OPENEYE Name: 4-butyl-5-hydroxy-1-(4-hydroxyphenyl)-2-phenyl-pyrazol-3-one; 1-phenyl-2-(2-pyridylamino)ethanol
IUPAC Name: 4-butyl-5-hydroxy-1-(4-hydroxyphenyl)-2-phenylpyrazol-3-one; 1-phenyl-2-(pyridin-2-ylamino)ethanol
SYSTEMATIC NAME: 4-butyl-1-(4-hydroxyphenyl)-5-oxidanyl-2-phenyl-pyrazol-3-one; 1-phenyl-2-(pyridin-2-ylamino)ethanol
MOLECULAR FORMULA: C32H34N4O4
MOLECULAR WEIGHT: 538.63676
SMILES: CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)O)O.C1=CC=C(C=C1)C(CNC2=CC=CC=N2)O
Structure:
CAS RN: 3612-22-4
CAS Name: 6-(3-chlorophenyl)-2,2-dimethyl-4-piperidinone
OPENEYE Name: 6-(3-chlorophenyl)-2,2-dimethyl-piperidin-4-one
IUPAC Name: 6-(3-chlorophenyl)-2,2-dimethylpiperidin-4-one
SYSTEMATIC NAME: 6-(3-chlorophenyl)-2,2-dimethyl-piperidin-4-one
MOLECULAR FORMULA: C13H16ClNO
MOLECULAR WEIGHT: 237.72524
SMILES: CC1(CC(=O)CC(N1)C2=CC(=CC=C2)Cl)C
Structure:
CAS RN: 3612-15-5
CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-4-piperidinone
OPENEYE Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-piperidin-4-one
IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpiperidin-4-one
SYSTEMATIC NAME: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-methyl-piperidin-4-one
MOLECULAR FORMULA: C16H23NO3
MOLECULAR WEIGHT: 277.35872
SMILES: CC1CN(CCC1=O)CCC2=CC(=C(C=C2)OC)OC
Structure:
CAS RN: 3612-14-4
CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-piperidinone
OPENEYE Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-one
IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-one
SYSTEMATIC NAME: 1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-one
MOLECULAR FORMULA: C15H21NO3
MOLECULAR WEIGHT: 263.33214
SMILES: COC1=C(C=C(C=C1)CCN2CCC(=O)CC2)OC
Structure:
CAS RN: 3612-12-2
CAS Name: 3,4,5-trimethoxybenzoic acid (1-methyl-4-piperidinyl) ester hydrochloride
OPENEYE Name: (1-methyl-4-piperidyl) 3,4,5-trimethoxybenzoate hydrochloride
IUPAC Name: (1-methylpiperidin-4-yl) 3,4,5-trimethoxybenzoate hydrochloride
SYSTEMATIC NAME: (1-methylpiperidin-4-yl) 3,4,5-trimethoxybenzoate hydrochloride
MOLECULAR FORMULA: C16H24ClNO5
MOLECULAR WEIGHT: 345.81846
SMILES: CN1CCC(CC1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl
Structure:
No comments:
Post a Comment