CAS RN: 6951-52-6
CAS Name: 1-[(4-chlorophenyl)methyl]-3-pyridin-1-iumcarboxamide chloride
OPENEYE Name: 1-[(4-chlorophenyl)methyl]pyridin-1-ium-3-carboxamide chloride
IUPAC Name: 1-[(4-chlorophenyl)methyl]pyridin-1-ium-3-carboxamide chloride
SYSTEMATIC NAME: 1-[(4-chlorophenyl)methyl]pyridin-1-ium-3-carboxamide chloride
MOLECULAR FORMULA: C13H12Cl2N2O
MOLECULAR WEIGHT: 283.15318
SMILES: C1=CC(=C[N+](=C1)CC2=CC=C(C=C2)Cl)C(=O)N.[Cl-]
Structure:
CAS RN: 4742-28-3
CAS Name: N-(2,4-diacetyl-5-prop-2-enoxyphenyl)acetamide
OPENEYE Name: N-(2,4-diacetyl-5-allyloxy-phenyl)acetamide
IUPAC Name: N-(2,4-diacetyl-5-prop-2-enoxyphenyl)acetamide
SYSTEMATIC NAME: N-(2,4-diethanoyl-5-prop-2-enoxy-phenyl)ethanamide
MOLECULAR FORMULA: C15H17NO4
MOLECULAR WEIGHT: 275.29978
SMILES: CC(=O)C1=CC(=C(C=C1NC(=O)C)OCC=C)C(=O)C
Structure:
CAS RN: 40987-25-5
CAS Name: 2-(chloromethyl)-4-(phenylmethyl)morpholine
OPENEYE Name: 4-benzyl-2-(chloromethyl)morpholine
IUPAC Name: 4-benzyl-2-(chloromethyl)morpholine
SYSTEMATIC NAME: 2-(chloromethyl)-4-(phenylmethyl)morpholine
MOLECULAR FORMULA: C12H16ClNO
MOLECULAR WEIGHT: 225.71454
SMILES: C1COC(CN1CC2=CC=CC=C2)CCl
Structure:
CAS RN: 72271-71-7
CAS Name: 4-(4-butylphenyl)-4-oxobutanoic acid
OPENEYE Name: 4-(4-butylphenyl)-4-oxo-butanoic acid
IUPAC Name: 4-(4-butylphenyl)-4-oxobutanoic acid
SYSTEMATIC NAME: 4-(4-butylphenyl)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C14H18O3
MOLECULAR WEIGHT: 234.29092
SMILES: CCCCC1=CC=C(C=C1)C(=O)CCC(=O)O
Structure:
CAS RN: 39549-79-6
CAS Name: 2-amino-4-methylbenzamide
OPENEYE Name: 2-amino-4-methyl-benzamide
IUPAC Name: 2-amino-4-methylbenzamide
SYSTEMATIC NAME: 2-azanyl-4-methyl-benzamide
MOLECULAR FORMULA: C8H10N2O
MOLECULAR WEIGHT: 150.1778
SMILES: CC1=CC(=C(C=C1)C(=O)N)N
Structure:
CAS RN: 135009-57-3
CAS Name: 1-butyl-2-methyl-4-nitroimidazole
OPENEYE Name: 1-butyl-2-methyl-4-nitro-imidazole
IUPAC Name: 1-butyl-2-methyl-4-nitroimidazole
SYSTEMATIC NAME: 1-butyl-2-methyl-4-nitro-imidazole
MOLECULAR FORMULA: C8H13N3O2
MOLECULAR WEIGHT: 183.20772
SMILES: CCCCN1C=C(N=C1C)[N+](=O)[O-]
Structure:
CAS RN: 107377-07-1
CAS Name: 4-butylbenzamide
OPENEYE Name: 4-butylbenzamide
IUPAC Name: 4-butylbenzamide
SYSTEMATIC NAME: 4-butylbenzamide
MOLECULAR FORMULA: C11H15NO
MOLECULAR WEIGHT: 177.2429
SMILES: CCCCC1=CC=C(C=C1)C(=O)N
Structure:
CAS RN: 19102-07-9
CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carbonitrile
OPENEYE Name: 2,3-dihydro-1,4-benzodioxine-6-carbonitrile
IUPAC Name: 2,3-dihydro-1,4-benzodioxine-6-carbonitrile
SYSTEMATIC NAME: 2,3-dihydro-1,4-benzodioxine-6-carbonitrile
MOLECULAR FORMULA: C9H7NO2
MOLECULAR WEIGHT: 161.15738
SMILES: C1COC2=C(O1)C=CC(=C2)C#N
Structure:
CAS RN: 96784-54-2
CAS Name: 3-methyl-4-nitrobenzonitrile
OPENEYE Name: 3-methyl-4-nitro-benzonitrile
IUPAC Name: 3-methyl-4-nitrobenzonitrile
SYSTEMATIC NAME: 3-methyl-4-nitro-benzenecarbonitrile
MOLECULAR FORMULA: C8H6N2O2
MOLECULAR WEIGHT: 162.14544
SMILES: CC1=C(C=CC(=C1)C#N)[N+](=O)[O-]
Structure:
CAS RN: 33775-94-9
CAS Name: 1-iodo-2-(methylthio)benzene
OPENEYE Name: 1-iodo-2-methylsulfanyl-benzene
IUPAC Name: 1-iodo-2-methylsulfanylbenzene
SYSTEMATIC NAME: 1-iodanyl-2-methylsulfanyl-benzene
MOLECULAR FORMULA: C7H7IS
MOLECULAR WEIGHT: 250.09995
SMILES: CSC1=CC=CC=C1I
Structure:
CAS RN: 175278-26-9
CAS Name: 2,4-dichloro-6-methylbenzenesulfonyl chloride
OPENEYE Name: 2,4-dichloro-6-methyl-benzenesulfonyl chloride
IUPAC Name: 2,4-dichloro-6-methylbenzenesulfonyl chloride
SYSTEMATIC NAME: 2,4-bis(chloranyl)-6-methyl-benzenesulfonyl chloride
MOLECULAR FORMULA: C7H5Cl3O2S
MOLECULAR WEIGHT: 259.5374
SMILES: CC1=CC(=CC(=C1S(=O)(=O)Cl)Cl)Cl
Structure:
CAS RN: 246862-51-1
CAS Name: N-cyclopropyl-5-nitro-2-pyridinamine
OPENEYE Name: N-cyclopropyl-5-nitro-pyridin-2-amine
IUPAC Name: N-cyclopropyl-5-nitropyridin-2-amine
SYSTEMATIC NAME: N-cyclopropyl-5-nitro-pyridin-2-amine
MOLECULAR FORMULA: C8H9N3O2
MOLECULAR WEIGHT: 179.17596
SMILES: C1CC1NC2=NC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 56542-67-7
CAS Name: 3-cyanobenzenesulfonyl chloride
OPENEYE Name: 3-cyanobenzenesulfonyl chloride
IUPAC Name: 3-cyanobenzenesulfonyl chloride
SYSTEMATIC NAME: 3-cyanobenzenesulfonyl chloride
MOLECULAR FORMULA: C7H4ClNO2S
MOLECULAR WEIGHT: 201.63016
SMILES: C1=CC(=CC(=C1)S(=O)(=O)Cl)C#N
Structure:
CAS RN: 205748-03-4
CAS Name: 1-[4-[(4-nitrophenyl)methoxy]phenyl]ethanone
OPENEYE Name: 1-[4-[(4-nitrophenyl)methoxy]phenyl]ethanone
IUPAC Name: 1-[4-[(4-nitrophenyl)methoxy]phenyl]ethanone
SYSTEMATIC NAME: 1-[4-[(4-nitrophenyl)methoxy]phenyl]ethanone
MOLECULAR FORMULA: C15H13NO4
MOLECULAR WEIGHT: 271.26802
SMILES: CC(=O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 83846-48-4
CAS Name: 2-chloro-4-iodo-1-methylbenzene
OPENEYE Name: 2-chloro-4-iodo-1-methyl-benzene
IUPAC Name: 2-chloro-4-iodo-1-methylbenzene
SYSTEMATIC NAME: 2-chloranyl-4-iodanyl-1-methyl-benzene
MOLECULAR FORMULA: C7H6ClI
MOLECULAR WEIGHT: 252.48001
SMILES: CC1=C(C=C(C=C1)I)Cl
Structure:
CAS RN: 175278-10-1
CAS Name: 1,3-dibromo-2-iodo-5-methylbenzene
OPENEYE Name: 1,3-dibromo-2-iodo-5-methyl-benzene
IUPAC Name: 1,3-dibromo-2-iodo-5-methylbenzene
SYSTEMATIC NAME: 1,3-bis(bromanyl)-2-iodanyl-5-methyl-benzene
MOLECULAR FORMULA: C7H5Br2I
MOLECULAR WEIGHT: 375.82707
SMILES: CC1=CC(=C(C(=C1)Br)I)Br
Structure:
CAS RN: 30273-22-4
CAS Name: 4-bromo-2-ethylaniline
OPENEYE Name: 4-bromo-2-ethyl-aniline
IUPAC Name: 4-bromo-2-ethylaniline
SYSTEMATIC NAME: 4-bromanyl-2-ethyl-aniline
MOLECULAR FORMULA: C8H10BrN
MOLECULAR WEIGHT: 200.0757
SMILES: CCC1=C(C=CC(=C1)Br)N
Structure:
CAS RN: 45762-41-2
CAS Name: 4-bromo-2-ethylaniline
OPENEYE Name: 4-bromo-2-ethyl-aniline
IUPAC Name: 4-bromo-2-ethylaniline
SYSTEMATIC NAME: 4-bromanyl-2-ethyl-aniline
MOLECULAR FORMULA: C8H10BrN
MOLECULAR WEIGHT: 200.0757
SMILES: CCC1=C(C=CC(=C1)Br)N
Structure:
CAS RN: 26830-96-6
CAS Name: 2-amino-4-methylbenzonitrile
OPENEYE Name: 2-amino-4-methyl-benzonitrile
IUPAC Name: 2-amino-4-methylbenzonitrile
SYSTEMATIC NAME: 2-azanyl-4-methyl-benzenecarbonitrile
MOLECULAR FORMULA: C8H8N2
MOLECULAR WEIGHT: 132.16252
SMILES: CC1=CC(=C(C=C1)C#N)N
Structure:
CAS RN: 92748-09-9
CAS Name: 2-bromobenzenesulfonamide
OPENEYE Name: 2-bromobenzenesulfonamide
IUPAC Name: 2-bromobenzenesulfonamide
SYSTEMATIC NAME: 2-bromanylbenzenesulfonamide
MOLECULAR FORMULA: C6H6BrNO2S
MOLECULAR WEIGHT: 236.08634
SMILES: C1=CC=C(C(=C1)S(=O)(=O)N)Br
Structure:
CAS RN: 4041-95-6
CAS Name: 1,3-ditert-butylthiourea
OPENEYE Name: 1,3-ditert-butylthiourea
IUPAC Name: 1,3-ditert-butylthiourea
SYSTEMATIC NAME: 1,3-ditert-butylthiourea
MOLECULAR FORMULA: C9H20N2S
MOLECULAR WEIGHT: 188.3335
SMILES: CC(C)(C)NC(=S)NC(C)(C)C
Structure:
CAS RN: 26536-60-7
CAS Name: 1,3-dipropylthiourea
OPENEYE Name: 1,3-dipropylthiourea
IUPAC Name: 1,3-dipropylthiourea
SYSTEMATIC NAME: 1,3-dipropylthiourea
MOLECULAR FORMULA: C7H16N2S
MOLECULAR WEIGHT: 160.28034
SMILES: CCCNC(=S)NCCC
Structure:
CAS RN: 21071-28-3
CAS Name: 1,3-dihexylthiourea
OPENEYE Name: 1,3-dihexylthiourea
IUPAC Name: 1,3-dihexylthiourea
SYSTEMATIC NAME: 1,3-dihexylthiourea
MOLECULAR FORMULA: C13H28N2S
MOLECULAR WEIGHT: 244.43982
SMILES: CCCCCCNC(=S)NCCCCCC
Structure:
CAS RN: 94741-69-2
CAS Name: 4-amino-2-chloro-5-pyrimidinecarbonitrile
OPENEYE Name: 4-amino-2-chloro-pyrimidine-5-carbonitrile
IUPAC Name: 4-amino-2-chloropyrimidine-5-carbonitrile
SYSTEMATIC NAME: 4-azanyl-2-chloranyl-pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C5H3ClN4
MOLECULAR WEIGHT: 154.55712
SMILES: C1=C(C(=NC(=N1)Cl)N)C#N
Structure:
CAS RN: 5580-34-7
CAS Name: 2,3-dimethylbenzamide
OPENEYE Name: 2,3-dimethylbenzamide
IUPAC Name: 2,3-dimethylbenzamide
SYSTEMATIC NAME: 2,3-dimethylbenzamide
MOLECULAR FORMULA: C9H11NO
MOLECULAR WEIGHT: 149.18974
SMILES: CC1=CC=CC(=C1C)C(=O)N
Structure:
CAS RN: 52807-27-9
CAS Name: 4-chloro-2-iodo-1-methoxybenzene
OPENEYE Name: 4-chloro-2-iodo-1-methoxy-benzene
IUPAC Name: 4-chloro-2-iodo-1-methoxybenzene
SYSTEMATIC NAME: 4-chloranyl-2-iodanyl-1-methoxy-benzene
MOLECULAR FORMULA: C7H6ClIO
MOLECULAR WEIGHT: 268.47941
SMILES: COC1=C(C=C(C=C1)Cl)I
Structure:
CAS RN: 69395-13-7
CAS Name: 4-(2-hydroxyethyl)benzonitrile
OPENEYE Name: 4-(2-hydroxyethyl)benzonitrile
IUPAC Name: 4-(2-hydroxyethyl)benzonitrile
SYSTEMATIC NAME: 4-(2-hydroxyethyl)benzenecarbonitrile
MOLECULAR FORMULA: C9H9NO
MOLECULAR WEIGHT: 147.17386
SMILES: C1=CC(=CC=C1CCO)C#N
Structure:
CAS RN: 51586-20-0
CAS Name: (2,3-dimethylphenyl)methanamine
OPENEYE Name: (2,3-dimethylphenyl)methanamine
IUPAC Name: (2,3-dimethylphenyl)methanamine
SYSTEMATIC NAME: (2,3-dimethylphenyl)methanamine
MOLECULAR FORMULA: C9H13N
MOLECULAR WEIGHT: 135.20622
SMILES: CC1=C(C(=CC=C1)CN)C
Structure:
CAS RN: 156185-63-6
CAS Name: 4-(3-hydroxypropyl)-1-piperidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate
IUPAC Name: tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-(3-oxidanylpropyl)piperidine-1-carboxylate
MOLECULAR FORMULA: C13H25NO3
MOLECULAR WEIGHT: 243.3425
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)CCCO
Structure:
CAS RN: 157664-47-6
CAS Name: (2-bromo-3-thiophenyl)methanamine hydrochloride
OPENEYE Name: (2-bromo-3-thienyl)methanamine hydrochloride
IUPAC Name: (2-bromothiophen-3-yl)methanamine hydrochloride
SYSTEMATIC NAME: (2-bromanylthiophen-3-yl)methanamine hydrochloride
MOLECULAR FORMULA: C5H7BrClNS
MOLECULAR WEIGHT: 228.53778
SMILES: C1=CSC(=C1CN)Br.Cl
Structure:
CAS RN: 20680-59-5
CAS Name: 3-methylbenzenecarboximidamide hydrochloride
OPENEYE Name: 3-methylbenzamidine hydrochloride
IUPAC Name: 3-methylbenzenecarboximidamide hydrochloride
SYSTEMATIC NAME: 3-methylbenzenecarboximidamide hydrochloride
MOLECULAR FORMULA: C8H11ClN2
MOLECULAR WEIGHT: 170.63934
SMILES: CC1=CC=CC(=C1)C(=N)N.Cl
Structure:
CAS RN: 519056-54-3
CAS Name: 1-tert-butyl-5-methyl-3-pyrazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-tert-butyl-5-methyl-pyrazole-3-carboxylate
IUPAC Name: ethyl 1-tert-butyl-5-methylpyrazole-3-carboxylate
SYSTEMATIC NAME: ethyl 1-tert-butyl-5-methyl-pyrazole-3-carboxylate
MOLECULAR FORMULA: C11H18N2O2
MOLECULAR WEIGHT: 210.27282
SMILES: CCOC(=O)C1=NN(C(=C1)C)C(C)(C)C
Structure:
CAS RN: 175135-60-1
CAS Name: 3-bromo-5-chloro-2,6-dimethoxybenzamide
OPENEYE Name: 3-bromo-5-chloro-2,6-dimethoxy-benzamide
IUPAC Name: 3-bromo-5-chloro-2,6-dimethoxybenzamide
SYSTEMATIC NAME: 3-bromanyl-5-chloranyl-2,6-dimethoxy-benzamide
MOLECULAR FORMULA: C9H9BrClNO3
MOLECULAR WEIGHT: 294.52966
SMILES: COC1=C(C(=C(C=C1Cl)Br)OC)C(=O)N
Structure:
CAS RN: 103646-82-8
CAS Name: 5-amino-1-(4-methylphenyl)-4-pyrazolecarbonitrile
OPENEYE Name: 5-amino-1-(p-tolyl)pyrazole-4-carbonitrile
IUPAC Name: 5-amino-1-(4-methylphenyl)pyrazole-4-carbonitrile
SYSTEMATIC NAME: 5-azanyl-1-(4-methylphenyl)pyrazole-4-carbonitrile
MOLECULAR FORMULA: C11H10N4
MOLECULAR WEIGHT: 198.2239
SMILES: CC1=CC=C(C=C1)N2C(=C(C=N2)C#N)N
Structure:
CAS RN: 22913-24-2
CAS Name: 1-benzothiophene-2-carboxylic acid methyl ester
OPENEYE Name: methyl benzothiophene-2-carboxylate
IUPAC Name: methyl 1-benzothiophene-2-carboxylate
SYSTEMATIC NAME: methyl 1-benzothiophene-2-carboxylate
MOLECULAR FORMULA: C10H8O2S
MOLECULAR WEIGHT: 192.23432
SMILES: COC(=O)C1=CC2=CC=CC=C2S1
Structure:
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