CAS RN: 94-93-9
CAS Name: (6Z)-6-[[2-[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]ethylamino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[[2-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[[2-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[[2-[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C16H16N2O2
MOLECULAR WEIGHT: 268.31044
SMILES: C1=C/C(=C\NCCN/C=C\2/C=CC=CC2=O)/C(=O)C=C1
Structure:
CAS RN: 77051-31-1
CAS Name: (6Z)-6-[[2-[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]ethylamino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[[2-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[[2-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[[2-[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C16H16N2O2
MOLECULAR WEIGHT: 268.31044
SMILES: C1=C/C(=C\NCCN/C=C\2/C=CC=CC2=O)/C(=O)C=C1
Structure:
CAS RN: 85-11-0
CAS Name: 8-imino-5-(phenylhydrazo)-2-naphthalenone
OPENEYE Name: 8-imino-5-(2-phenylhydrazino)naphthalen-2-one
IUPAC Name: 8-imino-5-(2-phenylhydrazinyl)naphthalen-2-one
SYSTEMATIC NAME: 8-azanylidene-5-(2-phenylhydrazinyl)naphthalen-2-one
MOLECULAR FORMULA: C16H13N3O
MOLECULAR WEIGHT: 263.29392
SMILES: C1=CC=C(C=C1)NNC2=C3C=CC(=O)C=C3C(=N)C=C2
Structure:
CAS RN: 987-02-0
CAS Name: (2Z,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
OPENEYE Name: (2Z,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
IUPAC Name: (2Z,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
SYSTEMATIC NAME: (2Z,4S,4aS,5aS,6S,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6,10,11,12a-tetrakis(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione
MOLECULAR FORMULA: C21H22N2O8
MOLECULAR WEIGHT: 430.40798
SMILES: CN(C)[C@H]1[C@@H]2C[C@@H]3[C@@H](C4=C(C(=CC=C4)O)C(=C3C(=O)[C@@]2(C(=O)/C(=C(/N)\O)/C1=O)O)O)O
Structure:
CAS RN: 71-82-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H31NO7
MOLECULAR WEIGHT: 433.49474
SMILES: C=CCN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 52-26-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H20ClNO3
MOLECULAR WEIGHT: 321.7986
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.Cl
Structure:
CAS RN: 140703-51-1
CAS Name: (2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-(2-methyl-1H-indol-3-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]hexanamide
OPENEYE Name: (2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]hexanamide
IUPAC Name: (2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
SYSTEMATIC NAME: (2S)-6-azanyl-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]hexanamide
MOLECULAR FORMULA: C47H58N12O6
MOLECULAR WEIGHT: 887.04022
SMILES: CC1=C(C2=CC=CC=C2N1)C[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CC=CC=C5)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CC6=CN=CN6)N
Structure:
CAS RN: 119322-27-9
CAS Name: 3-[(2E)-2-(1,2-dihydropyrazol-3-ylidene)-5-benzimidazolyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
OPENEYE Name: 3-[(2E)-2-(1,2-dihydropyrazol-3-ylidene)benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
IUPAC Name: 3-[(2E)-2-(1,2-dihydropyrazol-3-ylidene)benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SYSTEMATIC NAME: 3-[(2E)-2-(1,2-dihydropyrazol-3-ylidene)benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
MOLECULAR FORMULA: C15H14N6O
MOLECULAR WEIGHT: 294.31126
SMILES: CC1CC(=O)NN=C1C2=CC3=N/C(=C/4\C=CNN4)/N=C3C=C2
Structure:
CAS RN: 116313-94-1
CAS Name: 3-[(3,4-dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione
OPENEYE Name: 3-[(3,4-dihydroxy-5-nitro-phenyl)methylene]pentane-2,4-dione
IUPAC Name: 3-[(3,4-dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione
SYSTEMATIC NAME: 3-[[3-nitro-4,5-bis(oxidanyl)phenyl]methylidene]pentane-2,4-dione
MOLECULAR FORMULA: C12H11NO6
MOLECULAR WEIGHT: 265.21884
SMILES: CC(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C(=O)C
Structure:
CAS RN: 98815-38-4
CAS Name: (2S)-2-amino-N-[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
OPENEYE Name: (2S)-2-amino-N-[(1R)-2-[[(1S)-2-[[(1R)-2-[[(1S)-2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]-3-(4-hydroxyphenyl)propanamide
IUPAC Name: (2S)-2-amino-N-[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
SYSTEMATIC NAME: (2S)-2-azanyl-N-[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-3-(4-hydroxyphenyl)propanamide
MOLECULAR FORMULA: C33H40N6O7
MOLECULAR WEIGHT: 632.7067
SMILES: C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H](C)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)O)N
Structure:
CAS RN: 99402-78-5
CAS Name: 4-methyl-N-[4-(4-nitroanilino)phenyl]-1-piperazinecarbothioamide
OPENEYE Name: 4-methyl-N-[4-(4-nitroanilino)phenyl]piperazine-1-carbothioamide
IUPAC Name: 4-methyl-N-[4-(4-nitroanilino)phenyl]piperazine-1-carbothioamide
SYSTEMATIC NAME: 4-methyl-N-[4-[(4-nitrophenyl)amino]phenyl]piperazine-1-carbothioamide
MOLECULAR FORMULA: C18H21N5O2S
MOLECULAR WEIGHT: 371.45664
SMILES: CN1CCN(CC1)C(=S)NC2=CC=C(C=C2)NC3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 36590-19-9
CAS Name: 4-methyl-N-[4-(4-nitroanilino)phenyl]-1-piperazinecarbothioamide
OPENEYE Name: 4-methyl-N-[4-(4-nitroanilino)phenyl]piperazine-1-carbothioamide
IUPAC Name: 4-methyl-N-[4-(4-nitroanilino)phenyl]piperazine-1-carbothioamide
SYSTEMATIC NAME: 4-methyl-N-[4-[(4-nitrophenyl)amino]phenyl]piperazine-1-carbothioamide
MOLECULAR FORMULA: C18H21N5O2S
MOLECULAR WEIGHT: 371.45664
SMILES: CN1CCN(CC1)C(=S)NC2=CC=C(C=C2)NC3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 23869-24-1
CAS Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(2-hydroxyethoxy)-3-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(2-hydroxyethoxy)-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(2-hydroxyethoxy)-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-7-(2-hydroxyethyloxy)-3-[(3R,4S,5S,6R)-6-[[(3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C29H34O17
MOLECULAR WEIGHT: 654.57006
SMILES: C[C@H]1[C@@H]([C@H]([C@H](C(O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
Structure:
CAS RN: 83507-69-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H28O8
MOLECULAR WEIGHT: 384.42082
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C
Structure:
CAS RN: 88495-63-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H28O8
MOLECULAR WEIGHT: 384.42082
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C
Structure:
CAS RN: 112346-66-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H28O8
MOLECULAR WEIGHT: 384.42082
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C
Structure:
CAS RN: 252637-87-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H28O8
MOLECULAR WEIGHT: 384.42082
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C
Structure:
CAS RN: 91487-94-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H28O8
MOLECULAR WEIGHT: 384.42082
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C
Structure:
CAS RN: 87679-71-8
CAS Name: (2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]-1-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
OPENEYE Name: (2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenyl-propyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
IUPAC Name: (2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
SYSTEMATIC NAME: (2S,3aR,7aS)-1-[(2S)-2-[[(2S)-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
MOLECULAR FORMULA: C22H30N2O5
MOLECULAR WEIGHT: 402.484
SMILES: C[C@@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)N[C@@H](CCC3=CC=CC=C3)C(=O)O
Structure:
CAS RN: 87269-97-4
CAS Name: (2S,3aS,6aS)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]-1-oxopropyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
OPENEYE Name: (2S,3aS,6aS)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenyl-propyl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
IUPAC Name: (2S,3aS,6aS)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
SYSTEMATIC NAME: (2S,3aS,6aS)-1-[(2S)-2-[[(2S)-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxylic acid
MOLECULAR FORMULA: C21H28N2O5
MOLECULAR WEIGHT: 388.45742
SMILES: C[C@@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)N[C@@H](CCC3=CC=CC=C3)C(=O)O
Structure:
CAS RN: 357-08-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H22ClNO4
MOLECULAR WEIGHT: 363.83528
SMILES: C=CCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O.Cl
Structure:
CAS RN: 61444-62-0
CAS Name: N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanamide
OPENEYE Name: N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoro-propanamide
IUPAC Name: N-[2-amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanamide
SYSTEMATIC NAME: N-[2-azanyl-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3-tetrakis(fluoranyl)propanamide
MOLECULAR FORMULA: C10H6F7N3O3
MOLECULAR WEIGHT: 349.161762
SMILES: C1=C(C=C(C(=C1NC(=O)C(C(F)F)(F)F)N)[N+](=O)[O-])C(F)(F)F
Structure:
CAS RN: 58786-99-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H35NO8
MOLECULAR WEIGHT: 477.5473
SMILES: C1CC[C@]2([C@H]3CC4=C([C@]2(C1)CCN3CC5CCC5)C=C(C=C4)O)O.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 54244-71-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H35NO8
MOLECULAR WEIGHT: 477.5473
SMILES: C1CC[C@]2([C@H]3CC4=C([C@]2(C1)CCN3CC5CCC5)C=C(C=C4)O)O.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 54965-23-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H35NO8
MOLECULAR WEIGHT: 477.5473
SMILES: C1CC[C@]2([C@H]3CC4=C([C@]2(C1)CCN3CC5CCC5)C=C(C=C4)O)O.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O
Structure:
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