CAS RN: 54918-42-2
CAS Name: (E)-2-butenedioic acid; 3-methylsulfinyl-5-(1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin 11-oxide
OPENEYE Name: fumaric acid; 3-methylsulfinyl-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
IUPAC Name: (E)-but-2-enedioic acid; 3-methylsulfinyl-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-methylsulfinyl-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
MOLECULAR FORMULA: C23H26N2O6S2
MOLECULAR WEIGHT: 490.59234
SMILES: CS(=O)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3CC2N4CCNCC4.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 54903-30-9
CAS Name: 6-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]-3H-1,3-benzoxazol-2-one
OPENEYE Name: 6-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-3H-1,3-benzoxazol-2-one
IUPAC Name: 6-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-3H-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 6-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-3H-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C16H10N2O5
MOLECULAR WEIGHT: 310.261
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)C2=CC3=C(C=C2)NC(=O)O3
Structure:
CAS RN: 54903-29-6
CAS Name: 6-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]-3H-1,3-benzoxazol-2-one
OPENEYE Name: 6-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-3H-1,3-benzoxazol-2-one
IUPAC Name: 6-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-3H-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 6-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-3H-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C16H10N2O5
MOLECULAR WEIGHT: 310.261
SMILES: C1=CC(=CC=C1/C=C/C(=O)C2=CC3=C(C=C2)NC(=O)O3)[N+](=O)[O-]
Structure:
CAS RN: 54903-28-5
CAS Name: 6-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]-3H-1,3-benzoxazol-2-one
OPENEYE Name: 6-[(E)-3-(2-thienyl)prop-2-enoyl]-3H-1,3-benzoxazol-2-one
IUPAC Name: 6-[(E)-3-thiophen-2-ylprop-2-enoyl]-3H-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 6-[(E)-3-thiophen-2-ylprop-2-enoyl]-3H-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C14H9NO3S
MOLECULAR WEIGHT: 271.29116
SMILES: C1=CSC(=C1)/C=C/C(=O)C2=CC3=C(C=C2)NC(=O)O3
Structure:
CAS RN: 54903-27-4
CAS Name: 6-[(2E,4E)-1-oxo-5-phenylpenta-2,4-dienyl]-3H-1,3-benzoxazol-2-one
OPENEYE Name: 6-[(2E,4E)-5-phenylpenta-2,4-dienoyl]-3H-1,3-benzoxazol-2-one
IUPAC Name: 6-[(2E,4E)-5-phenylpenta-2,4-dienoyl]-3H-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 6-[(2E,4E)-5-phenylpenta-2,4-dienoyl]-3H-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C18H13NO3
MOLECULAR WEIGHT: 291.30072
SMILES: C1=CC=C(C=C1)/C=C/C=C/C(=O)C2=CC3=C(C=C2)NC(=O)O3
Structure:
CAS RN: 54903-26-3
CAS Name: 2,3-dimethoxy-6-[(E)-3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)prop-1-enyl]benzoic acid
OPENEYE Name: 2,3-dimethoxy-6-[(E)-3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)prop-1-enyl]benzoic acid
IUPAC Name: 2,3-dimethoxy-6-[(E)-3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)prop-1-enyl]benzoic acid
SYSTEMATIC NAME: 2,3-dimethoxy-6-[(E)-3-oxidanylidene-3-(2-oxidanylidene-3H-1,3-benzoxazol-6-yl)prop-1-enyl]benzoic acid
MOLECULAR FORMULA: C19H15NO7
MOLECULAR WEIGHT: 369.3249
SMILES: COC1=C(C(=C(C=C1)/C=C/C(=O)C2=CC3=C(C=C2)NC(=O)O3)C(=O)O)OC
Structure:
CAS RN: 54903-25-2
CAS Name: 6-[(E)-3-(3-methoxyphenyl)-1-oxoprop-2-enyl]-3H-1,3-benzoxazol-2-one
OPENEYE Name: 6-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-3H-1,3-benzoxazol-2-one
IUPAC Name: 6-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-3H-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 6-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]-3H-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C17H13NO4
MOLECULAR WEIGHT: 295.28942
SMILES: COC1=CC=CC(=C1)/C=C/C(=O)C2=CC3=C(C=C2)NC(=O)O3
Structure:
CAS RN: 54903-24-1
CAS Name: 6-[(E)-3-(2-methoxyphenyl)-1-oxoprop-2-enyl]-3H-1,3-benzoxazol-2-one
OPENEYE Name: 6-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-3H-1,3-benzoxazol-2-one
IUPAC Name: 6-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-3H-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 6-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]-3H-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C17H13NO4
MOLECULAR WEIGHT: 295.28942
SMILES: COC1=CC=CC=C1/C=C/C(=O)C2=CC3=C(C=C2)NC(=O)O3
Structure:
CAS RN: 54903-23-0
CAS Name: 6-[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]-3H-1,3-benzoxazol-2-one
OPENEYE Name: 6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3H-1,3-benzoxazol-2-one
IUPAC Name: 6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3H-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3H-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C17H13NO4
MOLECULAR WEIGHT: 295.28942
SMILES: COC1=CC=C(C=C1)/C=C/C(=O)C2=CC3=C(C=C2)NC(=O)O3
Structure:
CAS RN: 54903-22-9
CAS Name: 6-[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]-3H-1,3-benzoxazol-2-one
OPENEYE Name: 6-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3H-1,3-benzoxazol-2-one
IUPAC Name: 6-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3H-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 6-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3H-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C16H10ClNO3
MOLECULAR WEIGHT: 299.7085
SMILES: C1=CC(=CC=C1/C=C/C(=O)C2=CC3=C(C=C2)NC(=O)O3)Cl
Structure:
CAS RN: 54903-21-8
CAS Name: 6-[(E)-1-oxo-3-phenylprop-2-enyl]-3H-1,3-benzoxazol-2-one
OPENEYE Name: 6-[(E)-3-phenylprop-2-enoyl]-3H-1,3-benzoxazol-2-one
IUPAC Name: 6-[(E)-3-phenylprop-2-enoyl]-3H-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 6-[(E)-3-phenylprop-2-enoyl]-3H-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C16H11NO3
MOLECULAR WEIGHT: 265.26344
SMILES: C1=CC=C(C=C1)/C=C/C(=O)C2=CC3=C(C=C2)NC(=O)O3
Structure:
CAS RN: 54776-68-0
CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-1-oxo-8-(4-oxo-4-thiophen-2-ylbutyl)-4-phenyl-2,4,8-triazaspiro[4.5]decane-2-carboxamide
OPENEYE Name: N,N-dimethyl-1-oxo-8-[4-oxo-4-(2-thienyl)butyl]-4-phenyl-2,4,8-triazaspiro[4.5]decane-2-carboxamide; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; N,N-dimethyl-1-oxo-8-(4-oxo-4-thiophen-2-ylbutyl)-4-phenyl-2,4,8-triazaspiro[4.5]decane-2-carboxamide
SYSTEMATIC NAME: (E)-but-2-enedioic acid; N,N-dimethyl-1-oxidanylidene-8-(4-oxidanylidene-4-thiophen-2-yl-butyl)-4-phenyl-2,4,8-triazaspiro[4.5]decane-2-carboxamide
MOLECULAR FORMULA: C28H34N4O7S
MOLECULAR WEIGHT: 570.65716
SMILES: CN(C)C(=O)N1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=CS3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 60634-66-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H35N3O9
MOLECULAR WEIGHT: 569.6029
SMILES: CCN(C(=O)[C@@H]1C=C2C3=C4C(=CC=C3)N(C=C4C[C@H]2N(C1)C)C)CC.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 60563-10-2
CAS Name: 2-[4-[3-(11-benzo[b][1]benzazepinyl)propyl]-1,4-diazepan-1-yl]ethanol; (E)-2-butenedioic acid
OPENEYE Name: 2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)-1,4-diazepan-1-yl]ethanol; fumaric acid
IUPAC Name: 2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)-1,4-diazepan-1-yl]ethanol; (E)-but-2-enedioic acid
SYSTEMATIC NAME: 2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)-1,4-diazepan-1-yl]ethanol; (E)-but-2-enedioic acid
MOLECULAR FORMULA: C28H35N3O5
MOLECULAR WEIGHT: 493.5946
SMILES: C1CN(CCN(C1)CCO)CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 60397-73-1
CAS Name: 5-[[4-(2-methoxyethoxy)-6-[methyl(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-methoxyethoxy)-6-[methyl(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
OPENEYE Name: 5-[[4-(2-methoxyethoxy)-6-[methyl(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-methoxyethoxy)-6-[methyl(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]benzenesulfonic acid
IUPAC Name: 5-[[4-(2-methoxyethoxy)-6-[methyl(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-methoxyethoxy)-6-[methyl(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
SYSTEMATIC NAME: 5-[[4-(2-methoxyethoxy)-6-[methyl(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-methoxyethoxy)-6-[methyl(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid
MOLECULAR FORMULA: C32H42N10O16S4
MOLECULAR WEIGHT: 950.99328
SMILES: CN(CCS(=O)(=O)O)C1=NC(=NC(=N1)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)OCCOC)N(C)CCS(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)OCCOC
Structure:
CAS RN: 60396-00-1
CAS Name: N,N-diethyl-6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]-4-quinazolinamine
OPENEYE Name: N,N-diethyl-6-methoxy-2-[(E)-2-(4-nitrophenyl)vinyl]quinazolin-4-amine
IUPAC Name: N,N-diethyl-6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-amine
SYSTEMATIC NAME: N,N-diethyl-6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-amine
MOLECULAR FORMULA: C21H22N4O3
MOLECULAR WEIGHT: 378.42438
SMILES: CCN(CC)C1=NC(=NC2=C1C=C(C=C2)OC)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 60395-94-0
CAS Name: 2-[(E)-2-(2-chlorophenyl)ethenyl]-N,N-diethyl-6-methoxy-4-quinazolinamine
OPENEYE Name: 2-[(E)-2-(2-chlorophenyl)vinyl]-N,N-diethyl-6-methoxy-quinazolin-4-amine
IUPAC Name: 2-[(E)-2-(2-chlorophenyl)ethenyl]-N,N-diethyl-6-methoxyquinazolin-4-amine
SYSTEMATIC NAME: 2-[(E)-2-(2-chlorophenyl)ethenyl]-N,N-diethyl-6-methoxy-quinazolin-4-amine
MOLECULAR FORMULA: C21H22ClN3O
MOLECULAR WEIGHT: 367.87188
SMILES: CCN(CC)C1=NC(=NC2=C1C=C(C=C2)OC)/C=C/C3=CC=CC=C3Cl
Structure:
CAS RN: 60248-28-4
CAS Name: (E)-2-butenedioic acid; 3-[2-[[4-[(Z)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-1-benzimidazolyl]-1-thiophen-2-yl-1-propanone
OPENEYE Name: 3-[2-[[4-[(Z)-cinnamyl]piperazin-1-yl]methyl]benzimidazol-1-yl]-1-(2-thienyl)propan-1-one; fumaric acid
IUPAC Name: (E)-but-2-enedioic acid; 3-[2-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]-1-thiophen-2-ylpropan-1-one
SYSTEMATIC NAME: (E)-but-2-enedioic acid; 3-[2-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]-1-thiophen-2-yl-propan-1-one
MOLECULAR FORMULA: C36H38N4O9S
MOLECULAR WEIGHT: 702.77332
SMILES: C1N(CCN(C1)CC2=NC3=CC=CC=C3N2CCC(=O)C4=CC=CS4)C/C=C\C5=CC=CC=C5.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
Structure:
CAS RN: 60197-32-2
CAS Name: 2-[1-[(3E)-3-[6-fluoro-2-(trifluoromethyl)-9-thioxanthenylidene]propyl]-4-piperidinyl]ethanol hydrochloride
OPENEYE Name: 2-[1-[(3E)-3-[6-fluoro-2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]-4-piperidyl]ethanol hydrochloride
IUPAC Name: 2-[1-[(3E)-3-[6-fluoro-2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperidin-4-yl]ethanol hydrochloride
SYSTEMATIC NAME: 2-[1-[(3E)-3-[6-fluoranyl-2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperidin-4-yl]ethanol hydrochloride
MOLECULAR FORMULA: C24H26ClF4NOS
MOLECULAR WEIGHT: 487.980953
SMILES: C1CN(CCC1CCO)CC/C=C/2\C3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)C(F)(F)F.Cl
Structure:
CAS RN: 60045-47-8
CAS Name: (3E)-3-[(4-nitrophenyl)methylidene]-2-imidazo[1,2-c]quinazolinone
OPENEYE Name: (3E)-3-[(4-nitrophenyl)methylene]imidazo[1,2-c]quinazolin-2-one
IUPAC Name: (3E)-3-[(4-nitrophenyl)methylidene]imidazo[1,2-c]quinazolin-2-one
SYSTEMATIC NAME: (3E)-3-[(4-nitrophenyl)methylidene]imidazo[1,2-c]quinazolin-2-one
MOLECULAR FORMULA: C17H10N4O3
MOLECULAR WEIGHT: 318.2863
SMILES: C1=CC=C2C(=C1)C3=NC(=O)/C(=C\C4=CC=C(C=C4)[N+](=O)[O-])/N3C=N2
Structure:
CAS RN: 60045-43-4
CAS Name: (3E)-3-[[4-(dimethylamino)phenyl]methylidene]-2-imidazo[1,2-c]quinazolinone
OPENEYE Name: (3E)-3-[[4-(dimethylamino)phenyl]methylene]imidazo[1,2-c]quinazolin-2-one
IUPAC Name: (3E)-3-[[4-(dimethylamino)phenyl]methylidene]imidazo[1,2-c]quinazolin-2-one
SYSTEMATIC NAME: (3E)-3-[[4-(dimethylamino)phenyl]methylidene]imidazo[1,2-c]quinazolin-2-one
MOLECULAR FORMULA: C19H16N4O
MOLECULAR WEIGHT: 316.35654
SMILES: CN(C)C1=CC=C(C=C1)/C=C/2\C(=O)N=C3N2C=NC4=CC=CC=C43
Structure:
CAS RN: 60045-41-2
CAS Name: (3E)-3-[(4-methoxyphenyl)methylidene]-2-imidazo[1,2-c]quinazolinone
OPENEYE Name: (3E)-3-[(4-methoxyphenyl)methylene]imidazo[1,2-c]quinazolin-2-one
IUPAC Name: (3E)-3-[(4-methoxyphenyl)methylidene]imidazo[1,2-c]quinazolin-2-one
SYSTEMATIC NAME: (3E)-3-[(4-methoxyphenyl)methylidene]imidazo[1,2-c]quinazolin-2-one
MOLECULAR FORMULA: C18H13N3O2
MOLECULAR WEIGHT: 303.31472
SMILES: COC1=CC=C(C=C1)/C=C/2\C(=O)N=C3N2C=NC4=CC=CC=C43
Structure:
CAS RN: 60045-37-6
CAS Name: (3E)-3-(phenylmethylene)-2-imidazo[1,2-c]quinazolinone
OPENEYE Name: (3E)-3-benzylideneimidazo[1,2-c]quinazolin-2-one
IUPAC Name: (3E)-3-benzylideneimidazo[1,2-c]quinazolin-2-one
SYSTEMATIC NAME: (3E)-3-(phenylmethylidene)imidazo[1,2-c]quinazolin-2-one
MOLECULAR FORMULA: C17H11N3O
MOLECULAR WEIGHT: 273.28874
SMILES: C1=CC=C(C=C1)/C=C/2\C(=O)N=C3N2C=NC4=CC=CC=C43
Structure:
CAS RN: 59979-02-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C49H51N13O10S6
MOLECULAR WEIGHT: 1174.40034
SMILES: C/C=C/1\C2=NC(=CS2)C(=O)NC(C3=NC(=CS3)C(=O)NC(C4=NC(=CS4)C5=C(C=CC(=N5)C6=NC(=CS6)C7=NC(=CS7)C(=O)N/C(=C/C)/C(=O)NCC(C)O)C8=NC(=CS8)C(=O)NC(C(=O)N1)C(C)O)C(C)OC)C(C)(C)O
Structure:
CAS RN: 59979-01-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H49N13O10S6
MOLECULAR WEIGHT: 1160.37376
SMILES: C/C=C/1\C2=NC(=CS2)C(=O)NC(C3=NC(=CS3)C(=O)NC(C4=NC(=CS4)C5=C(C=CC(=N5)C6=NC(=CS6)C7=NC(=CS7)C(=O)N/C(=C/C)/C(=O)NCC(C)O)C8=NC(=CS8)C(=O)NC(C(=O)N1)C(C)O)C(C)O)C(C)(C)O
Structure:
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