CAS RN: 6198-79-4
CAS Name: N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
OPENEYE Name: N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
IUPAC Name: N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
SYSTEMATIC NAME: N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
MOLECULAR FORMULA: C16H15ClN2O
MOLECULAR WEIGHT: 286.7561
SMILES: C1CC2=CC=CC=C2N(C1)C(=O)NC3=CC=C(C=C3)Cl
Structure:
CAS RN: 6986-80-7
CAS Name: 1-(4-hydroxyphenyl)-3-phenylthiourea
OPENEYE Name: 1-(4-hydroxyphenyl)-3-phenyl-thiourea
IUPAC Name: 1-(4-hydroxyphenyl)-3-phenylthiourea
SYSTEMATIC NAME: 1-(4-hydroxyphenyl)-3-phenyl-thiourea
MOLECULAR FORMULA: C13H12N2OS
MOLECULAR WEIGHT: 244.31218
SMILES: C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)O
Structure:
CAS RN: 170492-47-4
CAS Name: 1-hydroxy-6-methylsulfonylindole
OPENEYE Name: 1-hydroxy-6-methylsulfonyl-indole
IUPAC Name: 1-hydroxy-6-methylsulfonylindole
SYSTEMATIC NAME: 6-methylsulfonyl-1-oxidanyl-indole
MOLECULAR FORMULA: C9H9NO3S
MOLECULAR WEIGHT: 211.23766
SMILES: CS(=O)(=O)C1=CC2=C(C=C1)C=CN2O
Structure:
CAS RN: 141134-24-9
CAS Name: 2-bromo-1-[4-(difluoromethoxy)phenyl]ethanone
OPENEYE Name: 2-bromo-1-[4-(difluoromethoxy)phenyl]ethanone
IUPAC Name: 2-bromo-1-[4-(difluoromethoxy)phenyl]ethanone
SYSTEMATIC NAME: 1-[4-[bis(fluoranyl)methoxy]phenyl]-2-bromanyl-ethanone
MOLECULAR FORMULA: C9H7BrF2O2
MOLECULAR WEIGHT: 265.051486
SMILES: C1=CC(=CC=C1C(=O)CBr)OC(F)F
Structure:
CAS RN: 36663-00-0
CAS Name: 3-(4-chlorophenyl)-1-phenyl-4-pyrazolecarboxaldehyde
OPENEYE Name: 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carbaldehyde
IUPAC Name: 3-(4-chlorophenyl)-1-phenylpyrazole-4-carbaldehyde
SYSTEMATIC NAME: 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carbaldehyde
MOLECULAR FORMULA: C16H11ClN2O
MOLECULAR WEIGHT: 282.72434
SMILES: C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C=O
Structure:
CAS RN: 315241-39-5
CAS Name: 5-[(4-fluorophenyl)methyl]-2-thiazolamine
OPENEYE Name: 5-[(4-fluorophenyl)methyl]thiazol-2-amine
IUPAC Name: 5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine
SYSTEMATIC NAME: 5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine
MOLECULAR FORMULA: C10H9FN2S
MOLECULAR WEIGHT: 208.255263
SMILES: C1=CC(=CC=C1CC2=CN=C(S2)N)F
Structure:
CAS RN: 6047-05-8
CAS Name: 5-[(4-fluorophenyl)methyl]-2-thiazolamine
OPENEYE Name: 5-[(4-fluorophenyl)methyl]thiazol-2-amine
IUPAC Name: 5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine
SYSTEMATIC NAME: 5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine
MOLECULAR FORMULA: C10H9FN2S
MOLECULAR WEIGHT: 208.255263
SMILES: C1=CC(=CC=C1CC2=CN=C(S2)N)F
Structure:
CAS RN: 58089-25-1
CAS Name: 2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxylic acid
OPENEYE Name: 2-thioxo-1,3-dihydrobenzimidazole-5-carboxylic acid
IUPAC Name: 2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxylic acid
SYSTEMATIC NAME: 2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxylic acid
MOLECULAR FORMULA: C8H6N2O2S
MOLECULAR WEIGHT: 194.21044
SMILES: C1=CC2=C(C=C1C(=O)O)NC(=S)N2
Structure:
CAS RN: 1137-71-9
CAS Name: 1-(3,4-diethoxyphenyl)ethanone
OPENEYE Name: 1-(3,4-diethoxyphenyl)ethanone
IUPAC Name: 1-(3,4-diethoxyphenyl)ethanone
SYSTEMATIC NAME: 1-(3,4-diethoxyphenyl)ethanone
MOLECULAR FORMULA: C12H16O3
MOLECULAR WEIGHT: 208.25364
SMILES: CCOC1=C(C=C(C=C1)C(=O)C)OCC
Structure:
CAS RN: 5928-51-8
CAS Name: 3-thiophen-2-ylpropanoic acid
OPENEYE Name: 3-(2-thienyl)propanoic acid
IUPAC Name: 3-thiophen-2-ylpropanoic acid
SYSTEMATIC NAME: 3-thiophen-2-ylpropanoic acid
MOLECULAR FORMULA: C7H8O2S
MOLECULAR WEIGHT: 156.20222
SMILES: C1=CSC(=C1)CCC(=O)O
Structure:
CAS RN: 59383-11-8
CAS Name: (1R)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
OPENEYE Name: (1R)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
IUPAC Name: (1R)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
SYSTEMATIC NAME: (1R)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
MOLECULAR FORMULA: C10H9Cl2N3O
MOLECULAR WEIGHT: 258.10396
SMILES: C1=CC(=C(C=C1Cl)Cl)[C@H](CN2C=NC=N2)O
Structure:
CAS RN: 593-82-8
CAS Name: (1S)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
OPENEYE Name: (1S)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
IUPAC Name: (1S)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
SYSTEMATIC NAME: (1S)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
MOLECULAR FORMULA: C10H9Cl2N3O
MOLECULAR WEIGHT: 258.10396
SMILES: C1=CC(=C(C=C1Cl)Cl)[C@@H](CN2C=NC=N2)O
Structure:
CAS RN: 108790-79-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H22N2O
MOLECULAR WEIGHT: 234.33728
SMILES: CC12CN3CC(C1=O)(CN(C2)C34CCCC4)C
Structure:
CAS RN: 1733-04-6
CAS Name: 2-cyano-2-(phenylhydrazinylidene)ethanethioamide
OPENEYE Name: 2-amino-N-anilino-2-thioxo-acetimidoyl cyanide
IUPAC Name: 2-amino-N-anilino-2-sulfanylideneethanimidoyl cyanide
SYSTEMATIC NAME: 2-cyano-2-(phenylhydrazinylidene)ethanethioamide
MOLECULAR FORMULA: C9H8N4S
MOLECULAR WEIGHT: 204.25162
SMILES: C1=CC=C(C=C1)NN=C(C#N)C(=S)N
Structure:
CAS RN: 52817-13-7
CAS Name: 6-bromo-4-oxo-1-benzopyran-3-carbonitrile
OPENEYE Name: 6-bromo-4-oxo-chromene-3-carbonitrile
IUPAC Name: 6-bromo-4-oxochromene-3-carbonitrile
SYSTEMATIC NAME: 6-bromanyl-4-oxidanylidene-chromene-3-carbonitrile
MOLECULAR FORMULA: C10H4BrNO2
MOLECULAR WEIGHT: 250.04826
SMILES: C1=CC2=C(C=C1Br)C(=O)C(=CO2)C#N
Structure:
CAS RN: 17153-05-8
CAS Name: [3-(hydroxymethyl)-1-adamantyl]methanol
OPENEYE Name: [3-(hydroxymethyl)-1-adamantyl]methanol
IUPAC Name: [3-(hydroxymethyl)-1-adamantyl]methanol
SYSTEMATIC NAME: [3-(hydroxymethyl)-1-adamantyl]methanol
MOLECULAR FORMULA: C12H20O2
MOLECULAR WEIGHT: 196.286
SMILES: C1C2CC3(CC1CC(C2)(C3)CO)CO
Structure:
CAS RN: 63884-91-3
CAS Name: (3Z)-3-[2-(4-methylphenyl)-2-oxoethylidene]-2-piperazinone
OPENEYE Name: (3Z)-3-[2-oxo-2-(p-tolyl)ethylidene]piperazin-2-one
IUPAC Name: (3Z)-3-[2-(4-methylphenyl)-2-oxoethylidene]piperazin-2-one
SYSTEMATIC NAME: (3Z)-3-[2-(4-methylphenyl)-2-oxidanylidene-ethylidene]piperazin-2-one
MOLECULAR FORMULA: C13H14N2O2
MOLECULAR WEIGHT: 230.26246
SMILES: CC1=CC=C(C=C1)C(=O)/C=C\2/C(=O)NCCN2
Structure:
CAS RN: 61842-44-2
CAS Name: 3-(3-nitrophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
OPENEYE Name: 3-(3-nitrophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
IUPAC Name: 3-(3-nitrophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
SYSTEMATIC NAME: 3-(3-nitrophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
MOLECULAR FORMULA: C16H13N3O3
MOLECULAR WEIGHT: 295.29272
SMILES: C1=CC=C(C=C1)CCC2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-]
Structure:
CAS RN: 39943-64-1
CAS Name: (3-chloro-2-methylphenyl)hydrazine
OPENEYE Name: (3-chloro-2-methyl-phenyl)hydrazine
IUPAC Name: (3-chloro-2-methylphenyl)hydrazine
SYSTEMATIC NAME: (3-chloranyl-2-methyl-phenyl)diazane
MOLECULAR FORMULA: C7H9ClN2
MOLECULAR WEIGHT: 156.61276
SMILES: CC1=C(C=CC=C1Cl)NN
Structure:
CAS RN: 615-00-9
CAS Name: (2,4-dimethylphenyl)hydrazine
OPENEYE Name: (2,4-dimethylphenyl)hydrazine
IUPAC Name: (2,4-dimethylphenyl)hydrazine
SYSTEMATIC NAME: (2,4-dimethylphenyl)diazane
MOLECULAR FORMULA: C8H12N2
MOLECULAR WEIGHT: 136.19428
SMILES: CC1=CC(=C(C=C1)NN)C
Structure:
CAS RN: 56952-04-6
CAS Name: (E)-2-benzamido-3-(dimethylamino)-2-propenoic acid methyl ester
OPENEYE Name: methyl (E)-2-benzamido-3-(dimethylamino)prop-2-enoate
IUPAC Name: methyl (E)-2-benzamido-3-(dimethylamino)prop-2-enoate
SYSTEMATIC NAME: methyl (E)-2-benzamido-3-(dimethylamino)prop-2-enoate
MOLECULAR FORMULA: C13H16N2O3
MOLECULAR WEIGHT: 248.27774
SMILES: CN(C)/C=C(\C(=O)OC)/NC(=O)C1=CC=CC=C1
Structure:
CAS RN: 88054-34-6
CAS Name: (2R)-2-amino-3-methyl-1,1-diphenyl-1-butanol
OPENEYE Name: (2R)-2-amino-3-methyl-1,1-diphenyl-butan-1-ol
IUPAC Name: (2R)-2-amino-3-methyl-1,1-diphenylbutan-1-ol
SYSTEMATIC NAME: (2R)-2-azanyl-3-methyl-1,1-diphenyl-butan-1-ol
MOLECULAR FORMULA: C17H21NO
MOLECULAR WEIGHT: 255.35474
SMILES: CC(C)[C@H](C(C1=CC=CC=C1)(C2=CC=CC=C2)O)N
Structure:
CAS RN: 70627-20-2
CAS Name: 4-[(2-fluorophenyl)methoxy]benzaldehyde
OPENEYE Name: 4-[(2-fluorophenyl)methoxy]benzaldehyde
IUPAC Name: 4-[(2-fluorophenyl)methoxy]benzaldehyde
SYSTEMATIC NAME: 4-[(2-fluorophenyl)methoxy]benzaldehyde
MOLECULAR FORMULA: C14H11FO2
MOLECULAR WEIGHT: 230.234343
SMILES: C1=CC=C(C(=C1)COC2=CC=C(C=C2)C=O)F
Structure:
CAS RN: 6281-23-8
CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid
OPENEYE Name: (E)-3-(5-nitro-2-furyl)prop-2-enoic acid
IUPAC Name: (E)-3-(5-nitrofuran-2-yl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(5-nitrofuran-2-yl)prop-2-enoic acid
MOLECULAR FORMULA: C7H5NO5
MOLECULAR WEIGHT: 183.1183
SMILES: C1=C(OC(=C1)[N+](=O)[O-])/C=C/C(=O)O
Structure:
CAS RN: 6295-67-6
CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid
OPENEYE Name: (E)-3-(5-nitro-2-furyl)prop-2-enoic acid
IUPAC Name: (E)-3-(5-nitrofuran-2-yl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(5-nitrofuran-2-yl)prop-2-enoic acid
MOLECULAR FORMULA: C7H5NO5
MOLECULAR WEIGHT: 183.1183
SMILES: C1=C(OC(=C1)[N+](=O)[O-])/C=C/C(=O)O
Structure:
CAS RN: 1212-30-2
CAS Name: 1,3-bis(2-pyridinyl)thiourea
OPENEYE Name: 1,3-bis(2-pyridyl)thiourea
IUPAC Name: 1,3-dipyridin-2-ylthiourea
SYSTEMATIC NAME: 1,3-dipyridin-2-ylthiourea
MOLECULAR FORMULA: C11H10N4S
MOLECULAR WEIGHT: 230.2889
SMILES: C1=CC=NC(=C1)NC(=S)NC2=CC=CC=N2
Structure:
CAS RN: 81017-24-5
CAS Name: 8-ethoxy-2-oxo-1-benzopyran-3-carboxylic acid
OPENEYE Name: 8-ethoxy-2-oxo-chromene-3-carboxylic acid
IUPAC Name: 8-ethoxy-2-oxochromene-3-carboxylic acid
SYSTEMATIC NAME: 8-ethoxy-2-oxidanylidene-chromene-3-carboxylic acid
MOLECULAR FORMULA: C12H10O5
MOLECULAR WEIGHT: 234.2048
SMILES: CCOC1=CC=CC2=C1OC(=O)C(=C2)C(=O)O
Structure:
CAS RN: 120337-30-6
CAS Name: 1-acetyl-5-prop-2-enyl-2,3-dihydro-1,5-benzodiazepin-4-one
OPENEYE Name: 1-acetyl-5-allyl-2,3-dihydro-1,5-benzodiazepin-4-one
IUPAC Name: 1-acetyl-5-prop-2-enyl-2,3-dihydro-1,5-benzodiazepin-4-one
SYSTEMATIC NAME: 1-ethanoyl-5-prop-2-enyl-2,3-dihydro-1,5-benzodiazepin-4-one
MOLECULAR FORMULA: C14H16N2O2
MOLECULAR WEIGHT: 244.28904
SMILES: CC(=O)N1CCC(=O)N(C2=CC=CC=C21)CC=C
Structure:
CAS RN: 309720-04-5
CAS Name: N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-4-methylaniline
OPENEYE Name: N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-4-methyl-aniline
IUPAC Name: N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-4-methylaniline
SYSTEMATIC NAME: N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-4-methyl-aniline
MOLECULAR FORMULA: C17H19NO2
MOLECULAR WEIGHT: 269.33826
SMILES: CC1=CC=C(C=C1)NCC2OCC3=CC=CC=C3CO2
Structure:
CAS RN: 317840-08-7
CAS Name: 3-amino-6-methyl-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinecarbonitrile
OPENEYE Name: 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile
IUPAC Name: 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile
SYSTEMATIC NAME: 3-azanyl-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile
MOLECULAR FORMULA: C10H6F3N3S
MOLECULAR WEIGHT: 257.23495
SMILES: CC1=NC2=C(C(=C1)C(F)(F)F)C(=C(S2)C#N)N
Structure:
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