CAS RN: 364745-60-8
CAS Name: 2-chloro-1-[(4R)-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl]ethanone
OPENEYE Name: 2-chloro-1-[(4R)-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl]ethanone
IUPAC Name: 2-chloro-1-[(4R)-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl]ethanone
SYSTEMATIC NAME: 2-chloranyl-1-[(4R)-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl]ethanone
MOLECULAR FORMULA: C15H20ClNO
MOLECULAR WEIGHT: 265.7784
SMILES: C[C@@H]1CC(N(C2=C1C=C(C=C2)C)C(=O)CCl)(C)C
Structure:
CAS RN: 364745-60-8
CAS Name: 2-chloro-1-[(4S)-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl]ethanone
OPENEYE Name: 2-chloro-1-[(4S)-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl]ethanone
IUPAC Name: 2-chloro-1-[(4S)-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl]ethanone
SYSTEMATIC NAME: 2-chloranyl-1-[(4S)-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1-yl]ethanone
MOLECULAR FORMULA: C15H20ClNO
MOLECULAR WEIGHT: 265.7784
SMILES: C[C@H]1CC(N(C2=C1C=C(C=C2)C)C(=O)CCl)(C)C
Structure:
CAS RN: 375833-63-9
CAS Name: 2-chloro-1-(6-methoxy-2,2,4-trimethyl-1-quinolinyl)ethanone
OPENEYE Name: 2-chloro-1-(6-methoxy-2,2,4-trimethyl-1-quinolyl)ethanone
IUPAC Name: 2-chloro-1-(6-methoxy-2,2,4-trimethylquinolin-1-yl)ethanone
SYSTEMATIC NAME: 2-chloranyl-1-(6-methoxy-2,2,4-trimethyl-quinolin-1-yl)ethanone
MOLECULAR FORMULA: C15H18ClNO2
MOLECULAR WEIGHT: 279.76192
SMILES: CC1=CC(N(C2=C1C=C(C=C2)OC)C(=O)CCl)(C)C
Structure:
CAS RN: 436088-87-8
CAS Name: 3-amino-2-cyclopentyl-1H-pyrazol-5-one
OPENEYE Name: 3-amino-2-cyclopentyl-1H-pyrazol-5-one
IUPAC Name: 3-amino-2-cyclopentyl-1H-pyrazol-5-one
SYSTEMATIC NAME: 3-azanyl-2-cyclopentyl-1H-pyrazol-5-one
MOLECULAR FORMULA: C8H13N3O
MOLECULAR WEIGHT: 167.20832
SMILES: C1CCC(C1)N2C(=CC(=O)N2)N
Structure:
CAS RN: 70733-84-5
CAS Name: (2,4-dimethoxyphenyl)-(4-morpholinyl)methanethione
OPENEYE Name: (2,4-dimethoxyphenyl)-morpholino-methanethione
IUPAC Name: (2,4-dimethoxyphenyl)-morpholin-4-ylmethanethione
SYSTEMATIC NAME: (2,4-dimethoxyphenyl)-morpholin-4-yl-methanethione
MOLECULAR FORMULA: C13H17NO3S
MOLECULAR WEIGHT: 267.34398
SMILES: COC1=CC(=C(C=C1)C(=S)N2CCOCC2)OC
Structure:
CAS RN: 58566-85-1
CAS Name: (2-methyl-1-benzimidazolyl)methanol
OPENEYE Name: (2-methylbenzimidazol-1-yl)methanol
IUPAC Name: (2-methylbenzimidazol-1-yl)methanol
SYSTEMATIC NAME: (2-methylbenzimidazol-1-yl)methanol
MOLECULAR FORMULA: C9H10N2O
MOLECULAR WEIGHT: 162.1885
SMILES: CC1=NC2=CC=CC=C2N1CO
Structure:
CAS RN: 137180-65-5
CAS Name: (1S)-1-(2-amino-4-thiazolyl)-4-oxaspiro[4.5]decan-3-one
OPENEYE Name: (1S)-1-(2-aminothiazol-4-yl)-4-oxaspiro[4.5]decan-3-one
IUPAC Name: (1S)-1-(2-amino-1,3-thiazol-4-yl)-4-oxaspiro[4.5]decan-3-one
SYSTEMATIC NAME: (1S)-1-(2-azanyl-1,3-thiazol-4-yl)-4-oxaspiro[4.5]decan-3-one
MOLECULAR FORMULA: C12H16N2O2S
MOLECULAR WEIGHT: 252.33264
SMILES: C1CCC2(CC1)[C@@H](CC(=O)O2)C3=CSC(=N3)N
Structure:
CAS RN: 137180-65-5
CAS Name: (1R)-1-(2-amino-4-thiazolyl)-4-oxaspiro[4.5]decan-3-one
OPENEYE Name: (1R)-1-(2-aminothiazol-4-yl)-4-oxaspiro[4.5]decan-3-one
IUPAC Name: (1R)-1-(2-amino-1,3-thiazol-4-yl)-4-oxaspiro[4.5]decan-3-one
SYSTEMATIC NAME: (1R)-1-(2-azanyl-1,3-thiazol-4-yl)-4-oxaspiro[4.5]decan-3-one
MOLECULAR FORMULA: C12H16N2O2S
MOLECULAR WEIGHT: 252.33264
SMILES: C1CCC2(CC1)[C@H](CC(=O)O2)C3=CSC(=N3)N
Structure:
CAS RN: 5454-38-6
CAS Name: 1-(2-phenylethyl)-3-(2-pyridinyl)thiourea
OPENEYE Name: 1-(2-phenylethyl)-3-(2-pyridyl)thiourea
IUPAC Name: 1-(2-phenylethyl)-3-pyridin-2-ylthiourea
SYSTEMATIC NAME: 1-(2-phenylethyl)-3-pyridin-2-yl-thiourea
MOLECULAR FORMULA: C14H15N3S
MOLECULAR WEIGHT: 257.354
SMILES: C1=CC=C(C=C1)CCNC(=S)NC2=CC=CC=N2
Structure:
CAS RN: 433307-59-6
CAS Name: 2-(3-formyl-2-methyl-1-indolyl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(3-formyl-2-methyl-indol-1-yl)acetate
IUPAC Name: ethyl 2-(3-formyl-2-methylindol-1-yl)acetate
SYSTEMATIC NAME: ethyl 2-(3-methanoyl-2-methyl-indol-1-yl)ethanoate
MOLECULAR FORMULA: C14H15NO3
MOLECULAR WEIGHT: 245.2738
SMILES: CCOC(=O)CN1C(=C(C2=CC=CC=C21)C=O)C
Structure:
CAS RN: 83922-51-4
CAS Name: N-(3-bromophenyl)methanesulfonamide
OPENEYE Name: N-(3-bromophenyl)methanesulfonamide
IUPAC Name: N-(3-bromophenyl)methanesulfonamide
SYSTEMATIC NAME: N-(3-bromophenyl)methanesulfonamide
MOLECULAR FORMULA: C7H8BrNO2S
MOLECULAR WEIGHT: 250.11292
SMILES: CS(=O)(=O)NC1=CC(=CC=C1)Br
Structure:
CAS RN: 43091-21-0
CAS Name: 2-phenyl-1-thiazolo[3,2-a]quinolin-10-iumolate
OPENEYE Name: 2-phenylthiazolo[3,2-a]quinolin-10-ium-1-olate
IUPAC Name: 2-phenyl-[1,3]thiazolo[3,2-a]quinolin-10-ium-1-olate
SYSTEMATIC NAME: 2-phenyl-[1,3]thiazolo[3,2-a]quinolin-10-ium-1-olate
MOLECULAR FORMULA: C17H11NOS
MOLECULAR WEIGHT: 277.34034
SMILES: C1=CC=C(C=C1)C2=C([N+]3=C(S2)C=CC4=CC=CC=C43)[O-]
Structure:
CAS RN: 116412-83-0
CAS Name: (4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone
OPENEYE Name: (4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone
IUPAC Name: (4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone
SYSTEMATIC NAME: (4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone
MOLECULAR FORMULA: C15H13ClO3
MOLECULAR WEIGHT: 276.71492
SMILES: COC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)Cl)OC
Structure:
CAS RN: 51059-33-7
CAS Name: 2-(chloromethyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole
OPENEYE Name: 2-(chloromethyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole
IUPAC Name: 2-(chloromethyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(chloromethyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole
MOLECULAR FORMULA: C9H6ClN3O3
MOLECULAR WEIGHT: 239.61524
SMILES: C1=CC(=CC=C1C2=NN=C(O2)CCl)[N+](=O)[O-]
Structure:
CAS RN: 85306-00-9
CAS Name: 1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
OPENEYE Name: 1-(4-methoxyphenyl)-4-(p-tolylsulfonyl)piperazine
IUPAC Name: 1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonyl-piperazine
MOLECULAR FORMULA: C18H22N2O3S
MOLECULAR WEIGHT: 346.44388
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)OC
Structure:
CAS RN: 132900-42-6
CAS Name: N-[11-(2-amino-1-oxoethyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[11-(2-aminoacetyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
IUPAC Name: ethyl N-[11-(2-aminoacetyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
SYSTEMATIC NAME: ethyl N-[11-(2-azanylethanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
MOLECULAR FORMULA: C19H21N3O3
MOLECULAR WEIGHT: 339.38834
SMILES: CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CN)C=C1
Structure:
CAS RN: 134068-43-2
CAS Name: N-[11-(2-chloro-1-oxoethyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamic acid methyl ester
OPENEYE Name: methyl N-[11-(2-chloroacetyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
IUPAC Name: methyl N-[11-(2-chloroacetyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
SYSTEMATIC NAME: methyl N-[11-(2-chloranylethanoyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
MOLECULAR FORMULA: C18H17ClN2O3
MOLECULAR WEIGHT: 344.79218
SMILES: COC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CCl)C=C1
Structure:
CAS RN: 23589-03-9
CAS Name: 3-[5-(4-fluorophenyl)-2-furanyl]propanoic acid
OPENEYE Name: 3-[5-(4-fluorophenyl)-2-furyl]propanoic acid
IUPAC Name: 3-[5-(4-fluorophenyl)furan-2-yl]propanoic acid
SYSTEMATIC NAME: 3-[5-(4-fluorophenyl)furan-2-yl]propanoic acid
MOLECULAR FORMULA: C13H11FO3
MOLECULAR WEIGHT: 234.223043
SMILES: C1=CC(=CC=C1C2=CC=C(O2)CCC(=O)O)F
Structure:
CAS RN: 105838-50-4
CAS Name: 2-chloro-N-[(1S,3R,4R)-2,2,3-trimethyl-3-bicyclo[2.2.1]heptanyl]acetamide
OPENEYE Name: 2-chloro-N-[(1R,2R,4S)-2,3,3-trimethylnorbornan-2-yl]acetamide
IUPAC Name: 2-chloro-N-[(1S,3R,4R)-2,2,3-trimethyl-3-bicyclo[2.2.1]heptanyl]acetamide
SYSTEMATIC NAME: 2-chloranyl-N-[(1S,3R,4R)-2,2,3-trimethyl-3-bicyclo[2.2.1]heptanyl]ethanamide
MOLECULAR FORMULA: C12H20ClNO
MOLECULAR WEIGHT: 229.7463
SMILES: C[C@]1([C@@H]2CC[C@@H](C2)C1(C)C)NC(=O)CCl
Structure:
CAS RN: 52399-83-4
CAS Name: 1-piperazinyl(thiophen-2-yl)methanone
OPENEYE Name: piperazin-1-yl(2-thienyl)methanone
IUPAC Name: piperazin-1-yl(thiophen-2-yl)methanone
SYSTEMATIC NAME: piperazin-1-yl(thiophen-2-yl)methanone
MOLECULAR FORMULA: C9H12N2OS
MOLECULAR WEIGHT: 196.26938
SMILES: C1CN(CCN1)C(=O)C2=CC=CS2
Structure:
CAS RN: 121751-67-5
CAS Name: 1-(4-methoxyphenyl)sulfonylpiperazine
OPENEYE Name: 1-(4-methoxyphenyl)sulfonylpiperazine
IUPAC Name: 1-(4-methoxyphenyl)sulfonylpiperazine
SYSTEMATIC NAME: 1-(4-methoxyphenyl)sulfonylpiperazine
MOLECULAR FORMULA: C11H16N2O3S
MOLECULAR WEIGHT: 256.32134
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N2CCNCC2
Structure:
CAS RN: 137988-08-0
CAS Name: acetic acid [3-(2-fluorophenoxy)-4-oxo-1-benzopyran-7-yl] ester
OPENEYE Name: [3-(2-fluorophenoxy)-4-oxo-chromen-7-yl] acetate
IUPAC Name: [3-(2-fluorophenoxy)-4-oxochromen-7-yl] acetate
SYSTEMATIC NAME: [3-(2-fluoranylphenoxy)-4-oxidanylidene-chromen-7-yl] ethanoate
MOLECULAR FORMULA: C17H11FO5
MOLECULAR WEIGHT: 314.264643
SMILES: CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3F
Structure:
CAS RN: 5570-42-3
CAS Name: 1-[4-(4-fluorophenyl)-1-piperazinyl]-2-methyl-1-propanone
OPENEYE Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-propan-1-one
IUPAC Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-one
SYSTEMATIC NAME: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-propan-1-one
MOLECULAR FORMULA: C14H19FN2O
MOLECULAR WEIGHT: 250.311863
SMILES: CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)F
Structure:
CAS RN: 431073-03-9
CAS Name: 3-(2,5-dimethylphenyl)-1-phenyl-4-pyrazolecarboxaldehyde
OPENEYE Name: 3-(2,5-dimethylphenyl)-1-phenyl-pyrazole-4-carbaldehyde
IUPAC Name: 3-(2,5-dimethylphenyl)-1-phenylpyrazole-4-carbaldehyde
SYSTEMATIC NAME: 3-(2,5-dimethylphenyl)-1-phenyl-pyrazole-4-carbaldehyde
MOLECULAR FORMULA: C18H16N2O
MOLECULAR WEIGHT: 276.33244
SMILES: CC1=CC(=C(C=C1)C)C2=NN(C=C2C=O)C3=CC=CC=C3
Structure:
CAS RN: 137988-09-1
CAS Name: acetic acid [3-(4-fluorophenoxy)-4-oxo-1-benzopyran-7-yl] ester
OPENEYE Name: [3-(4-fluorophenoxy)-4-oxo-chromen-7-yl] acetate
IUPAC Name: [3-(4-fluorophenoxy)-4-oxochromen-7-yl] acetate
SYSTEMATIC NAME: [3-(4-fluoranylphenoxy)-4-oxidanylidene-chromen-7-yl] ethanoate
MOLECULAR FORMULA: C17H11FO5
MOLECULAR WEIGHT: 314.264643
SMILES: CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)F
Structure:
CAS RN: 51547-73-0
CAS Name: 1-diphenylphosphoryl-1-cyclobutanecarboxylic acid
OPENEYE Name: 1-diphenylphosphorylcyclobutanecarboxylic acid
IUPAC Name: 1-diphenylphosphorylcyclobutane-1-carboxylic acid
SYSTEMATIC NAME: 1-diphenylphosphorylcyclobutane-1-carboxylic acid
MOLECULAR FORMULA: C17H17O3P
MOLECULAR WEIGHT: 300.288841
SMILES: C1CC(C1)(C(=O)O)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 2622-31-3
CAS Name: bis(phenylmethyl)phosphorylmethanol
OPENEYE Name: dibenzylphosphorylmethanol
IUPAC Name: dibenzylphosphorylmethanol
SYSTEMATIC NAME: bis(phenylmethyl)phosphorylmethanol
MOLECULAR FORMULA: C15H17O2P
MOLECULAR WEIGHT: 260.268041
SMILES: C1=CC=C(C=C1)CP(=O)(CC2=CC=CC=C2)CO
Structure:
CAS RN: 5116-17-6
CAS Name: 4-ditert-butylphosphorylbenzoic acid ethyl ester
OPENEYE Name: ethyl 4-ditert-butylphosphorylbenzoate
IUPAC Name: ethyl 4-ditert-butylphosphorylbenzoate
SYSTEMATIC NAME: ethyl 4-ditert-butylphosphorylbenzoate
MOLECULAR FORMULA: C17H27O3P
MOLECULAR WEIGHT: 310.368241
SMILES: CCOC(=O)C1=CC=C(C=C1)P(=O)(C(C)(C)C)C(C)(C)C
Structure:
CAS RN: 102664-66-4
CAS Name: (3Z)-3-(2-furanylmethylidene)-2-oxolanone
OPENEYE Name: (3Z)-3-(2-furylmethylene)tetrahydrofuran-2-one
IUPAC Name: (3Z)-3-(furan-2-ylmethylidene)oxolan-2-one
SYSTEMATIC NAME: (3Z)-3-(furan-2-ylmethylidene)oxolan-2-one
MOLECULAR FORMULA: C9H8O3
MOLECULAR WEIGHT: 164.15802
SMILES: C\1COC(=O)/C1=C\C2=CC=CO2
Structure:
CAS RN: 66909-43-1
CAS Name: (3E)-3-(2-furanylmethylidene)-2-oxolanone
OPENEYE Name: (3E)-3-(2-furylmethylene)tetrahydrofuran-2-one
IUPAC Name: (3E)-3-(furan-2-ylmethylidene)oxolan-2-one
SYSTEMATIC NAME: (3E)-3-(furan-2-ylmethylidene)oxolan-2-one
MOLECULAR FORMULA: C9H8O3
MOLECULAR WEIGHT: 164.15802
SMILES: C\1COC(=O)/C1=C/C2=CC=CO2
Structure:
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