CAS RN: 62888-04-4
CAS Name: 2-[2-(dimethylaminoazo)phenyl]-1H-quinazolin-4-one
OPENEYE Name: 2-[2-(dimethylaminoazo)phenyl]-1H-quinazolin-4-one
IUPAC Name: 2-[2-(dimethylaminodiazenyl)phenyl]-1H-quinazolin-4-one
SYSTEMATIC NAME: 2-[2-(dimethylaminodiazenyl)phenyl]-1H-quinazolin-4-one
MOLECULAR FORMULA: C16H15N5O
MOLECULAR WEIGHT: 293.3232
SMILES: CN(C)N=NC1=CC=CC=C1C2=NC(=O)C3=CC=CC=C3N2
Structure:
CAS RN: 62888-13-5
CAS Name: 2-[2-(dimethylaminoazo)phenyl]-4-quinazolinamine
OPENEYE Name: 2-[2-(dimethylaminoazo)phenyl]quinazolin-4-amine
IUPAC Name: 2-[2-(dimethylaminodiazenyl)phenyl]quinazolin-4-amine
SYSTEMATIC NAME: 2-[2-(dimethylaminodiazenyl)phenyl]quinazolin-4-amine
MOLECULAR FORMULA: C16H16N6
MOLECULAR WEIGHT: 292.33844
SMILES: CN(C)N=NC1=CC=CC=C1C2=NC3=CC=CC=C3C(=N2)N
Structure:
CAS RN: 62939-53-1
CAS Name: 5-bromo-2-[2-(4-bromo-2-cyanophenyl)iminohydrazinyl]benzonitrile
OPENEYE Name: 5-bromo-2-[2-(4-bromo-2-cyano-phenyl)iminohydrazino]benzonitrile
IUPAC Name: 5-bromo-2-[2-(4-bromo-2-cyanophenyl)iminohydrazinyl]benzonitrile
SYSTEMATIC NAME: 5-bromanyl-2-[2-(4-bromanyl-2-cyano-phenyl)iminohydrazinyl]benzenecarbonitrile
MOLECULAR FORMULA: C14H7Br2N5
MOLECULAR WEIGHT: 405.04688
SMILES: C1=CC(=C(C=C1Br)C#N)NN=NC2=C(C=C(C=C2)Br)C#N
Structure:
CAS RN: 68384-33-8
CAS Name: 3,4-diphenyl-7-pyrazolo[5,1-c][1,2,4]triazinamine
OPENEYE Name: 3,4-diphenylpyrazolo[5,1-c][1,2,4]triazin-7-amine
IUPAC Name: 3,4-diphenylpyrazolo[5,1-c][1,2,4]triazin-7-amine
SYSTEMATIC NAME: 3,4-diphenylpyrazolo[5,1-c][1,2,4]triazin-7-amine
MOLECULAR FORMULA: C17H13N5
MOLECULAR WEIGHT: 287.31862
SMILES: C1=CC=C(C=C1)C2=C(N3C(=CC(=N3)N)N=N2)C4=CC=CC=C4
Structure:
CAS RN: 62183-18-0
CAS Name: (2-hydroxy-2-methyl-1-phenylpropyl)urea
OPENEYE Name: (2-hydroxy-2-methyl-1-phenyl-propyl)urea
IUPAC Name: (2-hydroxy-2-methyl-1-phenylpropyl)urea
SYSTEMATIC NAME: 1-(2-methyl-2-oxidanyl-1-phenyl-propyl)urea
MOLECULAR FORMULA: C11H16N2O2
MOLECULAR WEIGHT: 208.25694
SMILES: CC(C)(C(C1=CC=CC=C1)NC(=O)N)O
Structure:
CAS RN: 49562-07-4
CAS Name: 6-methoxy-N-[2-[4-[2-[(6-methoxy-8-quinolinyl)amino]ethyl]-1-piperazinyl]ethyl]-8-quinolinamine
OPENEYE Name: 6-methoxy-N-[2-[4-[2-[(6-methoxy-8-quinolyl)amino]ethyl]piperazin-1-yl]ethyl]quinolin-8-amine
IUPAC Name: 6-methoxy-N-[2-[4-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]piperazin-1-yl]ethyl]quinolin-8-amine
SYSTEMATIC NAME: 6-methoxy-N-[2-[4-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]piperazin-1-yl]ethyl]quinolin-8-amine
MOLECULAR FORMULA: C28H34N6O2
MOLECULAR WEIGHT: 486.60856
SMILES: COC1=CC(=C2C(=C1)C=CC=N2)NCCN3CCN(CC3)CCNC4=C5C(=CC(=C4)OC)C=CC=N5
Structure:
CAS RN: 901-67-7
CAS Name: 4-[2-[4-(dimethylamino)phenyl]ethenyl]-8-hydroxy-1H-quinolin-5-one
OPENEYE Name: 4-[2-[4-(dimethylamino)phenyl]vinyl]-8-hydroxy-1H-quinolin-5-one
IUPAC Name: 4-[2-[4-(dimethylamino)phenyl]ethenyl]-8-hydroxy-1H-quinolin-5-one
SYSTEMATIC NAME: 4-[2-[4-(dimethylamino)phenyl]ethenyl]-8-oxidanyl-1H-quinolin-5-one
MOLECULAR FORMULA: C19H18N2O2
MOLECULAR WEIGHT: 306.35842
SMILES: CN(C)C1=CC=C(C=C1)C=CC2=C3C(=O)C=CC(=C3NC=C2)O
Structure:
CAS RN: 53-99-6
CAS Name: 3-[2-(4-quinolinyl)ethenyl]aniline
OPENEYE Name: 3-[2-(4-quinolyl)vinyl]aniline
IUPAC Name: 3-(2-quinolin-4-ylethenyl)aniline
SYSTEMATIC NAME: 3-(2-quinolin-4-ylethenyl)aniline
MOLECULAR FORMULA: C17H14N2
MOLECULAR WEIGHT: 246.30646
SMILES: C1=CC=C2C(=C1)C(=CC=N2)C=CC3=CC(=CC=C3)N
Structure:
CAS RN: 796-54-3
CAS Name: 4-[2-[4-(dimethylamino)phenyl]ethenyl]-6-quinolinol
OPENEYE Name: 4-[2-[4-(dimethylamino)phenyl]vinyl]quinolin-6-ol
IUPAC Name: 4-[2-[4-(dimethylamino)phenyl]ethenyl]quinolin-6-ol
SYSTEMATIC NAME: 4-[2-[4-(dimethylamino)phenyl]ethenyl]quinolin-6-ol
MOLECULAR FORMULA: C19H18N2O
MOLECULAR WEIGHT: 290.35902
SMILES: CN(C)C1=CC=C(C=C1)C=CC2=C3C=C(C=CC3=NC=C2)O
Structure:
CAS RN: 978-16-5
CAS Name: 2,5-dimethoxy-N,N-dimethyl-4-[2-(4-quinolinyl)ethenyl]aniline
OPENEYE Name: 2,5-dimethoxy-N,N-dimethyl-4-[2-(4-quinolyl)vinyl]aniline
IUPAC Name: 2,5-dimethoxy-N,N-dimethyl-4-(2-quinolin-4-ylethenyl)aniline
SYSTEMATIC NAME: 2,5-dimethoxy-N,N-dimethyl-4-(2-quinolin-4-ylethenyl)aniline
MOLECULAR FORMULA: C21H22N2O2
MOLECULAR WEIGHT: 334.41158
SMILES: CN(C)C1=C(C=C(C(=C1)OC)C=CC2=CC=NC3=CC=CC=C23)OC
Structure:
CAS RN: 2793-20-6
CAS Name: 4-[2-(6-fluoro-4-quinolinyl)ethenyl]-N,N-dimethylaniline
OPENEYE Name: 4-[2-(6-fluoro-4-quinolyl)vinyl]-N,N-dimethyl-aniline
IUPAC Name: 4-[2-(6-fluoroquinolin-4-yl)ethenyl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[2-(6-fluoranylquinolin-4-yl)ethenyl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C19H17FN2
MOLECULAR WEIGHT: 292.350083
SMILES: CN(C)C1=CC=C(C=C1)C=CC2=C3C=C(C=CC3=NC=C2)F
Structure:
CAS RN: 304-02-9
CAS Name: 4-[2-[4-(dimethylamino)phenyl]ethenyl]-8-quinolinamine
OPENEYE Name: 4-[2-[4-(dimethylamino)phenyl]vinyl]quinolin-8-amine
IUPAC Name: 4-[2-[4-(dimethylamino)phenyl]ethenyl]quinolin-8-amine
SYSTEMATIC NAME: 4-[2-[4-(dimethylamino)phenyl]ethenyl]quinolin-8-amine
MOLECULAR FORMULA: C19H19N3
MOLECULAR WEIGHT: 289.37426
SMILES: CN(C)C1=CC=C(C=C1)C=CC2=C3C=CC=C(C3=NC=C2)N
Structure:
CAS RN: 30506-92-4
CAS Name: 4-[2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-4-quinolinyl]ethenyl]-N,N-dimethylaniline
OPENEYE Name: 4-[2-[2-[2-[4-(dimethylamino)phenyl]vinyl]-4-quinolyl]vinyl]-N,N-dimethyl-aniline
IUPAC Name: 4-[2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]quinolin-4-yl]ethenyl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]quinolin-4-yl]ethenyl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C29H29N3
MOLECULAR WEIGHT: 419.56066
SMILES: CN(C)C1=CC=C(C=C1)C=CC2=CC(=NC3=CC=CC=C32)C=CC4=CC=C(C=C4)N(C)C
Structure:
CAS RN: 801-98-9
CAS Name: 4-[2-(5,8-dimethoxy-4-quinolinyl)ethenyl]-N,N-dimethylaniline
OPENEYE Name: 4-[2-(5,8-dimethoxy-4-quinolyl)vinyl]-N,N-dimethyl-aniline
IUPAC Name: 4-[2-(5,8-dimethoxyquinolin-4-yl)ethenyl]-N,N-dimethylaniline
SYSTEMATIC NAME: 4-[2-(5,8-dimethoxyquinolin-4-yl)ethenyl]-N,N-dimethyl-aniline
MOLECULAR FORMULA: C21H22N2O2
MOLECULAR WEIGHT: 334.41158
SMILES: CN(C)C1=CC=C(C=C1)C=CC2=CC=NC3=C(C=CC(=C23)OC)OC
Structure:
CAS RN: 4980-20-5
CAS Name: 4-(dimethylamino)-2,6-dimethylbenzene-1,3-dicarboxaldehyde
OPENEYE Name: 4-(dimethylamino)-2,6-dimethyl-benzene-1,3-dicarbaldehyde
IUPAC Name: 4-(dimethylamino)-2,6-dimethylbenzene-1,3-dicarbaldehyde
SYSTEMATIC NAME: 4-(dimethylamino)-2,6-dimethyl-benzene-1,3-dicarbaldehyde
MOLECULAR FORMULA: C12H15NO2
MOLECULAR WEIGHT: 205.253
SMILES: CC1=CC(=C(C(=C1C=O)C)C=O)N(C)C
Structure:
CAS RN: 800-59-9
CAS Name: N,N-dimethyl-4-[2-(8-nitro-4-quinolinyl)ethenyl]aniline
OPENEYE Name: N,N-dimethyl-4-[2-(8-nitro-4-quinolyl)vinyl]aniline
IUPAC Name: N,N-dimethyl-4-[2-(8-nitroquinolin-4-yl)ethenyl]aniline
SYSTEMATIC NAME: N,N-dimethyl-4-[2-(8-nitroquinolin-4-yl)ethenyl]aniline
MOLECULAR FORMULA: C19H17N3O2
MOLECULAR WEIGHT: 319.35718
SMILES: CN(C)C1=CC=C(C=C1)C=CC2=C3C=CC=C(C3=NC=C2)[N+](=O)[O-]
Structure:
CAS RN: 24275-68-1
CAS Name: 4-(9-acridinyl)-N,N-dimethylaniline
OPENEYE Name: 4-acridin-9-yl-N,N-dimethyl-aniline
IUPAC Name: 4-acridin-9-yl-N,N-dimethylaniline
SYSTEMATIC NAME: 4-acridin-9-yl-N,N-dimethyl-aniline
MOLECULAR FORMULA: C21H18N2
MOLECULAR WEIGHT: 298.38102
SMILES: CN(C)C1=CC=C(C=C1)C2=C3C=CC=CC3=NC4=CC=CC=C42
Structure:
CAS RN: 71848-09-4
CAS Name: methanesulfonic acid (2-oxo-1H-pyridin-3-yl) ester
OPENEYE Name: (2-oxo-1H-pyridin-3-yl) methanesulfonate
IUPAC Name: (2-oxo-1H-pyridin-3-yl) methanesulfonate
SYSTEMATIC NAME: (2-oxidanylidene-1H-pyridin-3-yl) methanesulfonate
MOLECULAR FORMULA: C6H7NO4S
MOLECULAR WEIGHT: 189.18908
SMILES: CS(=O)(=O)OC1=CC=CNC1=O
Structure:
CAS RN: 71847-93-3
CAS Name: 2,2-dimethylpropanoic acid (2-oxo-1H-pyridin-3-yl) ester
OPENEYE Name: (2-oxo-1H-pyridin-3-yl) 2,2-dimethylpropanoate
IUPAC Name: (2-oxo-1H-pyridin-3-yl) 2,2-dimethylpropanoate
SYSTEMATIC NAME: (2-oxidanylidene-1H-pyridin-3-yl) 2,2-dimethylpropanoate
MOLECULAR FORMULA: C10H13NO3
MOLECULAR WEIGHT: 195.21512
SMILES: CC(C)(C)C(=O)OC1=CC=CNC1=O
Structure:
CAS RN: 71848-02-7
CAS Name: N-methylcarbamic acid [1-(methylcarbamoyl)-2-oxo-3-pyridinyl] ester
OPENEYE Name: [1-(methylcarbamoyl)-2-oxo-3-pyridyl] N-methylcarbamate
IUPAC Name: [1-(methylcarbamoyl)-2-oxopyridin-3-yl] N-methylcarbamate
SYSTEMATIC NAME: [1-(methylcarbamoyl)-2-oxidanylidene-pyridin-3-yl] N-methylcarbamate
MOLECULAR FORMULA: C9H11N3O4
MOLECULAR WEIGHT: 225.20134
SMILES: CNC(=O)N1C=CC=C(C1=O)OC(=O)NC
Structure:
CAS RN: 71847-96-6
CAS Name: benzoic acid (2-oxo-1H-pyridin-3-yl) ester
OPENEYE Name: (2-oxo-1H-pyridin-3-yl) benzoate
IUPAC Name: (2-oxo-1H-pyridin-3-yl) benzoate
SYSTEMATIC NAME: (2-oxidanylidene-1H-pyridin-3-yl) benzoate
MOLECULAR FORMULA: C12H9NO3
MOLECULAR WEIGHT: 215.20476
SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=CNC2=O
Structure:
CAS RN: 71847-91-1
CAS Name: propanoic acid (2-oxo-1H-pyridin-3-yl) ester
OPENEYE Name: (2-oxo-1H-pyridin-3-yl) propanoate
IUPAC Name: (2-oxo-1H-pyridin-3-yl) propanoate
SYSTEMATIC NAME: (2-oxidanylidene-1H-pyridin-3-yl) propanoate
MOLECULAR FORMULA: C8H9NO3
MOLECULAR WEIGHT: 167.16196
SMILES: CCC(=O)OC1=CC=CNC1=O
Structure:
CAS RN: 71848-10-7
CAS Name: methanesulfonic acid (1-methylsulfonyl-2-oxo-3-pyridinyl) ester
OPENEYE Name: (1-methylsulfonyl-2-oxo-3-pyridyl) methanesulfonate
IUPAC Name: (1-methylsulfonyl-2-oxopyridin-3-yl) methanesulfonate
SYSTEMATIC NAME: (1-methylsulfonyl-2-oxidanylidene-pyridin-3-yl) methanesulfonate
MOLECULAR FORMULA: C7H9NO6S2
MOLECULAR WEIGHT: 267.27946
SMILES: CS(=O)(=O)N1C=CC=C(C1=O)OS(=O)(=O)C
Structure:
CAS RN: 66512-17-2
CAS Name: N-[6-[[(1S,3S)-3-(1,2-dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-4-oxanyl]-2,2,2-trifluoroacetamide
OPENEYE Name: N-[6-[[(1S,3S)-3-(1,2-dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]-2,2,2-trifluoro-acetamide
IUPAC Name: N-[6-[[(1S,3S)-3-(1,2-dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide
SYSTEMATIC NAME: N-[6-[[(1S,3S)-3-[1,2-bis(oxidanyl)ethyl]-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]-2,2,2-tris(fluoranyl)ethanamide
MOLECULAR FORMULA: C29H30F3NO12
MOLECULAR WEIGHT: 641.54321
SMILES: CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(CO)O)O)NC(=O)C(F)(F)F)O
Structure:
CAS RN: 69164-73-4
CAS Name: 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylamino)butanoic acid (phenylmethyl) ester
OPENEYE Name: benzyl 2-(benzyloxycarbonylamino)-4-(2-chloroethylsulfamoyl)butanoate
IUPAC Name: benzyl 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate
SYSTEMATIC NAME: (phenylmethyl) 4-(2-chloroethylsulfamoyl)-2-(phenylmethoxycarbonylamino)butanoate
MOLECULAR FORMULA: C21H25ClN2O6S
MOLECULAR WEIGHT: 468.951
SMILES: C1=CC=C(C=C1)COC(=O)C(CCS(=O)(=O)NCCCl)NC(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 69164-79-0
CAS Name: 2-amino-4-(2-chloroethylsulfamoyl)butanoic acid
OPENEYE Name: 2-amino-4-(2-chloroethylsulfamoyl)butanoic acid
IUPAC Name: 2-amino-4-(2-chloroethylsulfamoyl)butanoic acid
SYSTEMATIC NAME: 2-azanyl-4-(2-chloroethylsulfamoyl)butanoic acid
MOLECULAR FORMULA: C6H13ClN2O4S
MOLECULAR WEIGHT: 244.69642
SMILES: C(CS(=O)(=O)NCCCl)C(C(=O)O)N
Structure:
CAS RN: 69164-78-9
CAS Name: 2-amino-4-(hydroxysulfamoyl)butanoic acid
OPENEYE Name: 2-amino-4-(hydroxysulfamoyl)butanoic acid
IUPAC Name: 2-amino-4-(hydroxysulfamoyl)butanoic acid
SYSTEMATIC NAME: 2-azanyl-4-(oxidanylsulfamoyl)butanoic acid
MOLECULAR FORMULA: C4H10N2O5S
MOLECULAR WEIGHT: 198.1976
SMILES: C(CS(=O)(=O)NO)C(C(=O)O)N
Structure:
CAS RN: 5877-49-6
CAS Name: 1-(2-chlorophenyl)-N-phenylmethanimine
OPENEYE Name: 1-(2-chlorophenyl)-N-phenyl-methanimine
IUPAC Name: 1-(2-chlorophenyl)-N-phenylmethanimine
SYSTEMATIC NAME: 1-(2-chlorophenyl)-N-phenyl-methanimine
MOLECULAR FORMULA: C13H10ClN
MOLECULAR WEIGHT: 215.6782
SMILES: C1=CC=C(C=C1)N=CC2=CC=CC=C2Cl
Structure:
CAS RN: 7037-33-4
CAS Name: 2-[(3-methoxyphenyl)methylthio]-2-phenylacetic acid
OPENEYE Name: 2-[(3-methoxyphenyl)methylsulfanyl]-2-phenyl-acetic acid
IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-2-phenylacetic acid
SYSTEMATIC NAME: 2-[(3-methoxyphenyl)methylsulfanyl]-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C16H16O3S
MOLECULAR WEIGHT: 288.36144
SMILES: COC1=CC=CC(=C1)CSC(C2=CC=CC=C2)C(=O)O
Structure:
CAS RN: 64724-10-3
CAS Name: 7-(2-chloroethyl)-5-oxa-1,7-diaza-6$l^{5}-phosphabicyclo[4.3.0]nonane 6-oxide
OPENEYE Name: 7-(2-chloroethyl)-5-oxa-1,7-diaza-6$l^{5}-phosphabicyclo[4.3.0]nonane 6-oxide
IUPAC Name: 7-(2-chloroethyl)-5-oxa-1,7-diaza-6$l^{5}-phosphabicyclo[4.3.0]nonane 6-oxide
SYSTEMATIC NAME: 7-(2-chloroethyl)-5-oxa-1,7-diaza-6$l^{5}-phosphabicyclo[4.3.0]nonane 6-oxide
MOLECULAR FORMULA: C7H14ClN2O2P
MOLECULAR WEIGHT: 224.625021
SMILES: C1CN2CCN(P2(=O)OC1)CCCl
Structure:
CAS RN: 70100-31-1
CAS Name: 4-(dimethylaminoazo)-N-propan-2-ylbenzamide
OPENEYE Name: 4-(dimethylaminoazo)-N-isopropyl-benzamide
IUPAC Name: 4-(dimethylaminodiazenyl)-N-propan-2-ylbenzamide
SYSTEMATIC NAME: 4-(dimethylaminodiazenyl)-N-propan-2-yl-benzamide
MOLECULAR FORMULA: C12H18N4O
MOLECULAR WEIGHT: 234.29752
SMILES: CC(C)NC(=O)C1=CC=C(C=C1)N=NN(C)C
Structure:
CAS RN: 42548-81-2
CAS Name: 4-(2-methyliminohydrazinyl)-N-propan-2-ylbenzamide
OPENEYE Name: N-isopropyl-4-(2-methyliminohydrazino)benzamide
IUPAC Name: 4-(2-methyliminohydrazinyl)-N-propan-2-ylbenzamide
SYSTEMATIC NAME: 4-(2-methyliminohydrazinyl)-N-propan-2-yl-benzamide
MOLECULAR FORMULA: C11H16N4O
MOLECULAR WEIGHT: 220.27094
SMILES: CC(C)NC(=O)C1=CC=C(C=C1)NN=NC
Structure:
CAS RN: 33264-82-3
CAS Name: 2-amino-5-fluorobenzenethiol
OPENEYE Name: 2-amino-5-fluoro-benzenethiol
IUPAC Name: 2-amino-5-fluorobenzenethiol
SYSTEMATIC NAME: 2-azanyl-5-fluoranyl-benzenethiol
MOLECULAR FORMULA: C6H6FNS
MOLECULAR WEIGHT: 143.181943
SMILES: C1=CC(=C(C=C1F)S)N
Structure:
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