CAS RN: 687635-04-7
CAS Name: [3-(1-pyrazolyl)phenyl]methanamine
OPENEYE Name: (3-pyrazol-1-ylphenyl)methanamine
IUPAC Name: (3-pyrazol-1-ylphenyl)methanamine
SYSTEMATIC NAME: (3-pyrazol-1-ylphenyl)methanamine
MOLECULAR FORMULA: C10H11N3
MOLECULAR WEIGHT: 173.21444
SMILES: C1=CC(=CC(=C1)N2C=CC=N2)CN
Structure:
CAS RN: 835-45-0
CAS Name: 4-(1H-indol-3-yl)-4-oxobutanoic acid
OPENEYE Name: 4-(1H-indol-3-yl)-4-oxo-butanoic acid
IUPAC Name: 4-(1H-indol-3-yl)-4-oxobutanoic acid
SYSTEMATIC NAME: 4-(1H-indol-3-yl)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C12H11NO3
MOLECULAR WEIGHT: 217.22064
SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)CCC(=O)O
Structure:
CAS RN: 2294-71-5
CAS Name: (2R)-2-amino-2-phenylacetamide
OPENEYE Name: (2R)-2-amino-2-phenyl-acetamide
IUPAC Name: (2R)-2-amino-2-phenylacetamide
SYSTEMATIC NAME: (2R)-2-azanyl-2-phenyl-ethanamide
MOLECULAR FORMULA: C8H10N2O
MOLECULAR WEIGHT: 150.1778
SMILES: C1=CC=C(C=C1)[C@H](C(=O)N)N
Structure:
CAS RN: 101219-69-6
CAS Name: (2S)-2-amino-2-phenylacetamide
OPENEYE Name: (2S)-2-amino-2-phenyl-acetamide
IUPAC Name: (2S)-2-amino-2-phenylacetamide
SYSTEMATIC NAME: (2S)-2-azanyl-2-phenyl-ethanamide
MOLECULAR FORMULA: C8H10N2O
MOLECULAR WEIGHT: 150.1778
SMILES: C1=CC=C(C=C1)[C@@H](C(=O)N)N
Structure:
CAS RN: 24310-15-4
CAS Name: 2-(1-naphthalenyloxy)acetohydrazide
OPENEYE Name: 2-(1-naphthyloxy)acetohydrazide
IUPAC Name: 2-naphthalen-1-yloxyacetohydrazide
SYSTEMATIC NAME: 2-naphthalen-1-yloxyethanehydrazide
MOLECULAR FORMULA: C12H12N2O2
MOLECULAR WEIGHT: 216.23588
SMILES: C1=CC=C2C(=C1)C=CC=C2OCC(=O)NN
Structure:
CAS RN: 58272-45-0
CAS Name: (5-bromo-2-furanyl)-(4-morpholinyl)methanone
OPENEYE Name: (5-bromo-2-furyl)-morpholino-methanone
IUPAC Name: (5-bromofuran-2-yl)-morpholin-4-ylmethanone
SYSTEMATIC NAME: (5-bromanylfuran-2-yl)-morpholin-4-yl-methanone
MOLECULAR FORMULA: C9H10BrNO3
MOLECULAR WEIGHT: 260.0846
SMILES: C1COCCN1C(=O)C2=CC=C(O2)Br
Structure:
CAS RN: 36729-27-8
CAS Name: 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid
OPENEYE Name: 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid
IUPAC Name: 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid
SYSTEMATIC NAME: 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid
MOLECULAR FORMULA: C13H13NO2
MOLECULAR WEIGHT: 215.24782
SMILES: C1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)O
Structure:
CAS RN: 436096-98-9
CAS Name: 3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]propanoic acid
OPENEYE Name: 3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]propanoic acid
IUPAC Name: 3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]propanoic acid
SYSTEMATIC NAME: 3-[[2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-6-yl]sulfonyl]propanoic acid
MOLECULAR FORMULA: C11H10N2O6S
MOLECULAR WEIGHT: 298.2719
SMILES: C1=CC2=C(C=C1S(=O)(=O)CCC(=O)O)NC(=O)C(=O)N2
Structure:
CAS RN: 16507-32-7
CAS Name: 2-[(4-oxo-1H-quinazolin-2-yl)thio]acetic acid
OPENEYE Name: 2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetic acid
IUPAC Name: 2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetic acid
SYSTEMATIC NAME: 2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanoic acid
MOLECULAR FORMULA: C10H8N2O3S
MOLECULAR WEIGHT: 236.24712
SMILES: C1=CC=C2C(=C1)C(=O)N=C(N2)SCC(=O)O
Structure:
CAS RN: 67067-01-0
CAS Name: 2-(4-oxo-3-quinazolinyl)acetohydrazide
OPENEYE Name: 2-(4-oxoquinazolin-3-yl)acetohydrazide
IUPAC Name: 2-(4-oxoquinazolin-3-yl)acetohydrazide
SYSTEMATIC NAME: 2-(4-oxidanylidenequinazolin-3-yl)ethanehydrazide
MOLECULAR FORMULA: C10H10N4O2
MOLECULAR WEIGHT: 218.212
SMILES: C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)NN
Structure:
CAS RN: 14663-53-7
CAS Name: 2-(4-oxo-3-quinazolinyl)acetic acid
OPENEYE Name: 2-(4-oxoquinazolin-3-yl)acetic acid
IUPAC Name: 2-(4-oxoquinazolin-3-yl)acetic acid
SYSTEMATIC NAME: 2-(4-oxidanylidenequinazolin-3-yl)ethanoic acid
MOLECULAR FORMULA: C10H8N2O3
MOLECULAR WEIGHT: 204.18212
SMILES: C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)O
Structure:
CAS RN: 121361-55-5
CAS Name: 1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenoxy)ethanone
OPENEYE Name: 1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenoxy)ethanone
IUPAC Name: 1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenoxy)ethanone
SYSTEMATIC NAME: 1-[2,4-bis(oxidanyl)phenyl]-2-(4-methoxyphenoxy)ethanone
MOLECULAR FORMULA: C15H14O5
MOLECULAR WEIGHT: 274.26866
SMILES: COC1=CC=C(C=C1)OCC(=O)C2=C(C=C(C=C2)O)O
Structure:
CAS RN: 151911-33-0
CAS Name: (3S)-3-amino-3-(4-fluorophenyl)propanoic acid
OPENEYE Name: (3S)-3-amino-3-(4-fluorophenyl)propanoic acid
IUPAC Name: (3S)-3-amino-3-(4-fluorophenyl)propanoic acid
SYSTEMATIC NAME: (3S)-3-azanyl-3-(4-fluorophenyl)propanoic acid
MOLECULAR FORMULA: C9H10FNO2
MOLECULAR WEIGHT: 183.179603
SMILES: C1=CC(=CC=C1[C@H](CC(=O)O)N)F
Structure:
CAS RN: 151911-23-8
CAS Name: (3R)-3-amino-3-(4-fluorophenyl)propanoic acid
OPENEYE Name: (3R)-3-amino-3-(4-fluorophenyl)propanoic acid
IUPAC Name: (3R)-3-amino-3-(4-fluorophenyl)propanoic acid
SYSTEMATIC NAME: (3R)-3-azanyl-3-(4-fluorophenyl)propanoic acid
MOLECULAR FORMULA: C9H10FNO2
MOLECULAR WEIGHT: 183.179603
SMILES: C1=CC(=CC=C1[C@@H](CC(=O)O)N)F
Structure:
CAS RN: 63430-54-6
CAS Name: (E)-1,4-bis(4-morpholinyl)-2-butene-1,4-dione
OPENEYE Name: (E)-1,4-dimorpholinobut-2-ene-1,4-dione
IUPAC Name: (E)-1,4-dimorpholin-4-ylbut-2-ene-1,4-dione
SYSTEMATIC NAME: (E)-1,4-dimorpholin-4-ylbut-2-ene-1,4-dione
MOLECULAR FORMULA: C12H18N2O4
MOLECULAR WEIGHT: 254.28232
SMILES: C1COCCN1C(=O)/C=C/C(=O)N2CCOCC2
Structure:
CAS RN: 62134-40-1
CAS Name: (Z)-2-cyano-3-[4-(diethylamino)phenyl]-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (Z)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoate
IUPAC Name: ethyl (Z)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoate
SYSTEMATIC NAME: ethyl (Z)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enoate
MOLECULAR FORMULA: C16H20N2O2
MOLECULAR WEIGHT: 272.3422
SMILES: CCN(CC)C1=CC=C(C=C1)/C=C(/C#N)\C(=O)OCC
Structure:
CAS RN: 13347-41-6
CAS Name: (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenyl-2-propen-1-one
OPENEYE Name: (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenyl-prop-2-en-1-one
IUPAC Name: (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylprop-2-en-1-one
SYSTEMATIC NAME: (E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenyl-prop-2-en-1-one
MOLECULAR FORMULA: C18H17NO
MOLECULAR WEIGHT: 263.33368
SMILES: C1CC2=CC=CC=C2N(C1)C(=O)/C=C/C3=CC=CC=C3
Structure:
CAS RN: 1702-18-7
CAS Name: 3,6-dichloro-2-pyridinecarbonitrile
OPENEYE Name: 3,6-dichloropyridine-2-carbonitrile
IUPAC Name: 3,6-dichloropyridine-2-carbonitrile
SYSTEMATIC NAME: 3,6-bis(chloranyl)pyridine-2-carbonitrile
MOLECULAR FORMULA: C6H2Cl2N2
MOLECULAR WEIGHT: 172.99948
SMILES: C1=CC(=NC(=C1Cl)C#N)Cl
Structure:
CAS RN: 18437-58-6
CAS Name: 2-methyl-4-pyridinamine
OPENEYE Name: 2-methylpyridin-4-amine
IUPAC Name: 2-methylpyridin-4-amine
SYSTEMATIC NAME: 2-methylpyridin-4-amine
MOLECULAR FORMULA: C6H8N2
MOLECULAR WEIGHT: 108.14112
SMILES: CC1=NC=CC(=C1)N
Structure:
CAS RN: 75843-51-5
CAS Name: 2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide
OPENEYE Name: 2-(2-isopropyl-5-methyl-phenoxy)acetohydrazide
IUPAC Name: 2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide
SYSTEMATIC NAME: 2-(5-methyl-2-propan-2-yl-phenoxy)ethanehydrazide
MOLECULAR FORMULA: C12H18N2O2
MOLECULAR WEIGHT: 222.28352
SMILES: CC1=CC(=C(C=C1)C(C)C)OCC(=O)NN
Structure:
CAS RN: 5761-13-7
CAS Name: 6-bromo-2-(3-fluorophenyl)-3,1-benzoxazin-4-one
OPENEYE Name: 6-bromo-2-(3-fluorophenyl)-3,1-benzoxazin-4-one
IUPAC Name: 6-bromo-2-(3-fluorophenyl)-3,1-benzoxazin-4-one
SYSTEMATIC NAME: 6-bromanyl-2-(3-fluorophenyl)-3,1-benzoxazin-4-one
MOLECULAR FORMULA: C14H7BrFNO2
MOLECULAR WEIGHT: 320.113283
SMILES: C1=CC(=CC(=C1)F)C2=NC3=C(C=C(C=C3)Br)C(=O)O2
Structure:
CAS RN: 137988-20-6
CAS Name: acetic acid [3-(2-nitrophenoxy)-4-oxo-1-benzopyran-7-yl] ester
OPENEYE Name: [3-(2-nitrophenoxy)-4-oxo-chromen-7-yl] acetate
IUPAC Name: [3-(2-nitrophenoxy)-4-oxochromen-7-yl] acetate
SYSTEMATIC NAME: [3-(2-nitrophenoxy)-4-oxidanylidene-chromen-7-yl] ethanoate
MOLECULAR FORMULA: C17H11NO7
MOLECULAR WEIGHT: 341.27174
SMILES: CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3[N+](=O)[O-]
Structure:
CAS RN: 51756-10-6
CAS Name: 1-[(3-pyridinylamino)methyl]pyrrolidine-2,5-dione
OPENEYE Name: 1-[(3-pyridylamino)methyl]pyrrolidine-2,5-dione
IUPAC Name: 1-[(pyridin-3-ylamino)methyl]pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-[(pyridin-3-ylamino)methyl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C10H11N3O2
MOLECULAR WEIGHT: 205.21324
SMILES: C1CC(=O)N(C1=O)CNC2=CN=CC=C2
Structure:
CAS RN: 4921-82-8
CAS Name: N-[anilino(sulfanylidene)methyl]benzamide
OPENEYE Name: N-(phenylcarbamothioyl)benzamide
IUPAC Name: N-(phenylcarbamothioyl)benzamide
SYSTEMATIC NAME: N-(phenylcarbamothioyl)benzamide
MOLECULAR FORMULA: C14H12N2OS
MOLECULAR WEIGHT: 256.32288
SMILES: C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2
Structure:
CAS RN: 18336-75-9
CAS Name: 5-methyl-3-phenyl-4-isoxazolecarbohydrazide
OPENEYE Name: 5-methyl-3-phenyl-isoxazole-4-carbohydrazide
IUPAC Name: 5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
SYSTEMATIC NAME: 5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
MOLECULAR FORMULA: C11H11N3O2
MOLECULAR WEIGHT: 217.22394
SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN
Structure:
CAS RN: 31739-63-6
CAS Name: 2-(1-pyrrolyl)benzohydrazide
OPENEYE Name: 2-pyrrol-1-ylbenzohydrazide
IUPAC Name: 2-pyrrol-1-ylbenzohydrazide
SYSTEMATIC NAME: 2-pyrrol-1-ylbenzohydrazide
MOLECULAR FORMULA: C11H11N3O
MOLECULAR WEIGHT: 201.22454
SMILES: C1=CC=C(C(=C1)C(=O)NN)N2C=CC=C2
Structure:
CAS RN: 27740-13-2
CAS Name: 1,3-bis(1-pyrrolidinyl)propane-1,3-dione
OPENEYE Name: 1,3-dipyrrolidin-1-ylpropane-1,3-dione
IUPAC Name: 1,3-dipyrrolidin-1-ylpropane-1,3-dione
SYSTEMATIC NAME: 1,3-dipyrrolidin-1-ylpropane-1,3-dione
MOLECULAR FORMULA: C11H18N2O2
MOLECULAR WEIGHT: 210.27282
SMILES: C1CCN(C1)C(=O)CC(=O)N2CCCC2
Structure:
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