CAS RN: 3056-73-3
CAS Name: (E)-N,3-diphenyl-2-propenamide
OPENEYE Name: (E)-N,3-diphenylprop-2-enamide
IUPAC Name: (E)-N,3-diphenylprop-2-enamide
SYSTEMATIC NAME: (E)-N,3-diphenylprop-2-enamide
MOLECULAR FORMULA: C15H13NO
MOLECULAR WEIGHT: 223.26982
SMILES: C1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2
Structure:
CAS RN: 30799-11-2
CAS Name: (E)-N,3-diphenyl-2-propenamide
OPENEYE Name: (E)-N,3-diphenylprop-2-enamide
IUPAC Name: (E)-N,3-diphenylprop-2-enamide
SYSTEMATIC NAME: (E)-N,3-diphenylprop-2-enamide
MOLECULAR FORMULA: C15H13NO
MOLECULAR WEIGHT: 223.26982
SMILES: C1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2
Structure:
CAS RN: 122794-99-4
CAS Name: 6-bromo-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 6-bromo-4-oxo-1H-quinoline-3-carboxylate
IUPAC Name: ethyl 6-bromo-4-oxo-1H-quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 6-bromanyl-4-oxidanylidene-1H-quinoline-3-carboxylate
MOLECULAR FORMULA: C12H10BrNO3
MOLECULAR WEIGHT: 296.1167
SMILES: CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2)Br
Structure:
CAS RN: 665-77-0
CAS Name: 1-(2-furanylmethyl)-3-phenylthiourea
OPENEYE Name: 1-(2-furylmethyl)-3-phenyl-thiourea
IUPAC Name: 1-(furan-2-ylmethyl)-3-phenylthiourea
SYSTEMATIC NAME: 1-(furan-2-ylmethyl)-3-phenyl-thiourea
MOLECULAR FORMULA: C12H12N2OS
MOLECULAR WEIGHT: 232.30148
SMILES: C1=CC=C(C=C1)NC(=S)NCC2=CC=CO2
Structure:
CAS RN: 60442-41-3
CAS Name: 2-[(2-chloro-1-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
IUPAC Name: ethyl 2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-(2-chloranylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C13H16ClNO3S
MOLECULAR WEIGHT: 301.78904
SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCl
Structure:
CAS RN: 106827-26-3
CAS Name: 5-(2,3-dichlorophenyl)-2-furancarboxaldehyde
OPENEYE Name: 5-(2,3-dichlorophenyl)furan-2-carbaldehyde
IUPAC Name: 5-(2,3-dichlorophenyl)furan-2-carbaldehyde
SYSTEMATIC NAME: 5-[2,3-bis(chloranyl)phenyl]furan-2-carbaldehyde
MOLECULAR FORMULA: C11H6Cl2O2
MOLECULAR WEIGHT: 241.07014
SMILES: C1=CC(=C(C(=C1)Cl)Cl)C2=CC=C(O2)C=O
Structure:
CAS RN: 108790-80-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H24N2O
MOLECULAR WEIGHT: 248.36386
SMILES: CC12CN3CC(C1=O)(CN(C2)C34CCCCC4)C
Structure:
CAS RN: 27591-42-0
CAS Name: 5-[(4-bromophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 5-[(4-bromophenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 5-[(4-bromophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 5-[(4-bromophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C11H7BrN2O2S
MOLECULAR WEIGHT: 311.15448
SMILES: C1=CC(=CC=C1C=C2C(=O)NC(=S)NC2=O)Br
Structure:
CAS RN: 57859-20-8
CAS Name: 3-phenyl-5-oxatriazol-3-iumolate
OPENEYE Name: 3-phenyloxatriazol-3-ium-5-olate
IUPAC Name: 3-phenyloxatriazol-3-ium-5-olate
SYSTEMATIC NAME: 3-phenyl-1,2,3,4-oxatriazol-3-ium-5-olate
MOLECULAR FORMULA: C7H5N3O2
MOLECULAR WEIGHT: 163.1335
SMILES: C1=CC=C(C=C1)[N+]2=NOC(=N2)[O-]
Structure:
CAS RN: 50890-83-0
CAS Name: 1-methyl-3-indazolecarboxylic acid
OPENEYE Name: 1-methylindazole-3-carboxylic acid
IUPAC Name: 1-methylindazole-3-carboxylic acid
SYSTEMATIC NAME: 1-methylindazole-3-carboxylic acid
MOLECULAR FORMULA: C9H8N2O2
MOLECULAR WEIGHT: 176.17202
SMILES: CN1C2=CC=CC=C2C(=N1)C(=O)O
Structure:
CAS RN: 149437-76-3
CAS Name: 5-(4-fluorophenyl)-5-oxopentanoic acid
OPENEYE Name: 5-(4-fluorophenyl)-5-oxo-pentanoic acid
IUPAC Name: 5-(4-fluorophenyl)-5-oxopentanoic acid
SYSTEMATIC NAME: 5-(4-fluorophenyl)-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C11H11FO3
MOLECULAR WEIGHT: 210.201643
SMILES: C1=CC(=CC=C1C(=O)CCCC(=O)O)F
Structure:
CAS RN: 221243-82-9
CAS Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)prop-2-enoic acid
MOLECULAR FORMULA: C17H24O3
MOLECULAR WEIGHT: 276.37066
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/C(=O)O
Structure:
CAS RN: 73568-27-1
CAS Name: 2-chloro-6-methyl-3-quinolinecarboxaldehyde
OPENEYE Name: 2-chloro-6-methyl-quinoline-3-carbaldehyde
IUPAC Name: 2-chloro-6-methylquinoline-3-carbaldehyde
SYSTEMATIC NAME: 2-chloranyl-6-methyl-quinoline-3-carbaldehyde
MOLECULAR FORMULA: C11H8ClNO
MOLECULAR WEIGHT: 205.64032
SMILES: CC1=CC2=CC(=C(N=C2C=C1)Cl)C=O
Structure:
CAS RN: 3843-74-1
CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid methyl ester
OPENEYE Name: methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
IUPAC Name: methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: methyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate
MOLECULAR FORMULA: C10H10O4
MOLECULAR WEIGHT: 194.184
SMILES: COC(=O)/C=C/C1=CC(=C(C=C1)O)O
Structure:
CAS RN: 7147-97-9
CAS Name: 1-(5-bromo-2-hydroxy-3-nitrophenyl)ethanone
OPENEYE Name: 1-(5-bromo-2-hydroxy-3-nitro-phenyl)ethanone
IUPAC Name: 1-(5-bromo-2-hydroxy-3-nitrophenyl)ethanone
SYSTEMATIC NAME: 1-(5-bromanyl-3-nitro-2-oxidanyl-phenyl)ethanone
MOLECULAR FORMULA: C8H6BrNO4
MOLECULAR WEIGHT: 260.04154
SMILES: CC(=O)C1=CC(=CC(=C1O)[N+](=O)[O-])Br
Structure:
CAS RN: 86803-27-2
CAS Name: (3-bromo-5-chloro-2-hydroxyphenyl)-phenylmethanone
OPENEYE Name: (3-bromo-5-chloro-2-hydroxy-phenyl)-phenyl-methanone
IUPAC Name: (3-bromo-5-chloro-2-hydroxyphenyl)-phenylmethanone
SYSTEMATIC NAME: (3-bromanyl-5-chloranyl-2-oxidanyl-phenyl)-phenyl-methanone
MOLECULAR FORMULA: C13H8BrClO2
MOLECULAR WEIGHT: 311.55842
SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=CC(=C2O)Br)Cl
Structure:
CAS RN: 13828-31-4
CAS Name: 3-benzoyl-1,3-benzoxazol-2-one
OPENEYE Name: 3-benzoyl-1,3-benzoxazol-2-one
IUPAC Name: 3-benzoyl-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 3-(phenylcarbonyl)-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C14H9NO3
MOLECULAR WEIGHT: 239.22616
SMILES: C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3OC2=O
Structure:
CAS RN: 13229-01-1
CAS Name: 4-amino-3-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-amino-3-(p-tolyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-amino-3-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-azanyl-3-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C9H10N4S
MOLECULAR WEIGHT: 206.2675
SMILES: CC1=CC=C(C=C1)C2=NNC(=S)N2N
Structure:
CAS RN: 13229-02-2
CAS Name: 4-amino-3-(2-chlorophenyl)-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-amino-3-(2-chlorophenyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-amino-3-(2-chlorophenyl)-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-azanyl-3-(2-chlorophenyl)-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C8H7ClN4S
MOLECULAR WEIGHT: 226.68598
SMILES: C1=CC=C(C(=C1)C2=NNC(=S)N2N)Cl
Structure:
CAS RN: 138564-58-6
CAS Name: 2-amino-5-methyl-3-thiophenecarbonitrile
OPENEYE Name: 2-amino-5-methyl-thiophene-3-carbonitrile
IUPAC Name: 2-amino-5-methylthiophene-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-5-methyl-thiophene-3-carbonitrile
MOLECULAR FORMULA: C6H6N2S
MOLECULAR WEIGHT: 138.19024
SMILES: CC1=CC(=C(S1)N)C#N
Structure:
CAS RN: 55364-85-7
CAS Name: 6-acetyl-3H-1,3-benzoxazol-2-one
OPENEYE Name: 6-acetyl-3H-1,3-benzoxazol-2-one
IUPAC Name: 6-acetyl-3H-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 6-ethanoyl-3H-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C9H7NO3
MOLECULAR WEIGHT: 177.15678
SMILES: CC(=O)C1=CC2=C(C=C1)NC(=O)O2
Structure:
CAS RN: 4931-46-8
CAS Name: 1-(4-methoxy-5-benzofuranyl)-3-phenylpropane-1,3-dione
OPENEYE Name: 1-(4-methoxybenzofuran-5-yl)-3-phenyl-propane-1,3-dione
IUPAC Name: 1-(4-methoxy-1-benzofuran-5-yl)-3-phenylpropane-1,3-dione
SYSTEMATIC NAME: 1-(4-methoxy-1-benzofuran-5-yl)-3-phenyl-propane-1,3-dione
MOLECULAR FORMULA: C18H14O4
MOLECULAR WEIGHT: 294.30136
SMILES: COC1=C(C=CC2=C1C=CO2)C(=O)CC(=O)C3=CC=CC=C3
Structure:
CAS RN: 82017-78-5
CAS Name: 1-[(E)-1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]-2-piperidinone
OPENEYE Name: 1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperidin-2-one
IUPAC Name: 1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperidin-2-one
SYSTEMATIC NAME: 1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperidin-2-one
MOLECULAR FORMULA: C17H21NO5
MOLECULAR WEIGHT: 319.35234
SMILES: COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCCCC2=O
Structure:
CAS RN: 331-39-5
CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C9H8O4
MOLECULAR WEIGHT: 180.15742
SMILES: C1=CC(=C(C=C1/C=C/C(=O)O)O)O
Structure:
CAS RN: 501-16-6
CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C9H8O4
MOLECULAR WEIGHT: 180.15742
SMILES: C1=CC(=C(C=C1/C=C/C(=O)O)O)O
Structure:
CAS RN: 71693-97-5
CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C9H8O4
MOLECULAR WEIGHT: 180.15742
SMILES: C1=CC(=C(C=C1/C=C/C(=O)O)O)O
Structure:
CAS RN: 4760-53-6
CAS Name: (2R)-2-(4-amino-2-chlorophenyl)-2-phenylacetonitrile
OPENEYE Name: (2R)-2-(4-amino-2-chloro-phenyl)-2-phenyl-acetonitrile
IUPAC Name: (2R)-2-(4-amino-2-chlorophenyl)-2-phenylacetonitrile
SYSTEMATIC NAME: (2R)-2-(4-azanyl-2-chloranyl-phenyl)-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C14H11ClN2
MOLECULAR WEIGHT: 242.70354
SMILES: C1=CC=C(C=C1)[C@@H](C#N)C2=C(C=C(C=C2)N)Cl
Structure:
CAS RN: 4846-27-9
CAS Name: (2S)-2-(4-amino-2-chlorophenyl)-2-phenylacetonitrile
OPENEYE Name: (2S)-2-(4-amino-2-chloro-phenyl)-2-phenyl-acetonitrile
IUPAC Name: (2S)-2-(4-amino-2-chlorophenyl)-2-phenylacetonitrile
SYSTEMATIC NAME: (2S)-2-(4-azanyl-2-chloranyl-phenyl)-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C14H11ClN2
MOLECULAR WEIGHT: 242.70354
SMILES: C1=CC=C(C=C1)[C@H](C#N)C2=C(C=C(C=C2)N)Cl
Structure:
CAS RN: 4760-53-6
CAS Name: (2S)-2-(4-amino-2-chlorophenyl)-2-phenylacetonitrile
OPENEYE Name: (2S)-2-(4-amino-2-chloro-phenyl)-2-phenyl-acetonitrile
IUPAC Name: (2S)-2-(4-amino-2-chlorophenyl)-2-phenylacetonitrile
SYSTEMATIC NAME: (2S)-2-(4-azanyl-2-chloranyl-phenyl)-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C14H11ClN2
MOLECULAR WEIGHT: 242.70354
SMILES: C1=CC=C(C=C1)[C@H](C#N)C2=C(C=C(C=C2)N)Cl
Structure:
CAS RN: 6583-91-1
CAS Name: (2S)-1-[(2R)-3-(acetylthio)-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(2R)-3-acetylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2R)-3-acetylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(2R)-3-ethanoylsulfanyl-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C11H17NO4S
MOLECULAR WEIGHT: 259.32198
SMILES: C[C@@H](CSC(=O)C)C(=O)N1CCC[C@H]1C(=O)O
Structure:
CAS RN: 4957-24-8
CAS Name: (2R)-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: (2R)-2-phenylchroman-4-one
IUPAC Name: (2R)-2-phenyl-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: (2R)-2-phenyl-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C15H12O2
MOLECULAR WEIGHT: 224.25458
SMILES: C1[C@@H](OC2=CC=CC=C2C1=O)C3=CC=CC=C3
Structure:
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