CAS RN: 91668-36-9
CAS Name: 6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-7-methyl-1-oxo-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyridine-4-carboxylic acid methyl ester
OPENEYE Name: methyl 6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-7-methyl-1-oxo-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyridine-4-carboxylate
IUPAC Name: methyl 6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-7-methyl-1-oxo-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyridine-4-carboxylate
SYSTEMATIC NAME: methyl 2-[2-(4-hydroxyphenyl)ethyl]-7-methyl-6-oxidanyl-1-oxidanylidene-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyridine-4-carboxylate
MOLECULAR FORMULA: C19H23NO5
MOLECULAR WEIGHT: 345.38962
SMILES: CC1C(CC2C1C(=O)N(C=C2C(=O)OC)CCC3=CC=C(C=C3)O)O
Structure:
CAS RN: 68370-46-7
CAS Name: 2-methylpropanoic acid [(8S,9bR)-8-hydroxy-3,6,9-trimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] ester
OPENEYE Name: [(8S,9bR)-8-hydroxy-3,6,9-trimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylpropanoate
IUPAC Name: [(8S,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylpropanoate
SYSTEMATIC NAME: [(8S,9bR)-3,6,9-trimethylidene-8-oxidanyl-2-oxidanylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylpropanoate
MOLECULAR FORMULA: C19H24O5
MOLECULAR WEIGHT: 332.39086
SMILES: CC(C)C(=O)OC1CC(=C)C2C[C@@H](C(=C)C2[C@@H]3C1C(=C)C(=O)O3)O
Structure:
CAS RN: 83086-03-7
CAS Name: 6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]-N-(4-methylphenyl)heptanamide
OPENEYE Name: 6-[[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]amino]-N-(p-tolyl)heptanamide
IUPAC Name: 6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]-N-(4-methylphenyl)heptanamide
SYSTEMATIC NAME: 6-[[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]amino]-N-(4-methylphenyl)heptanamide
MOLECULAR FORMULA: C22H30N2O4
MOLECULAR WEIGHT: 386.4846
SMILES: CC1=CC=C(C=C1)NC(=O)CCCCC(C)NCC(C2=CC(=C(C=C2)O)O)O
Structure:
CAS RN: 96624-40-7
CAS Name: 4-[[3-benzoyl-2,6-dihydroxy-4-(3-methylbut-2-enoxy)phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methyl-1-oxopropyl)-1-cyclohexa-2,4-dienone
OPENEYE Name: 4-[[3-benzoyl-2,6-dihydroxy-4-(3-methylbut-2-enoxy)phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
IUPAC Name: 4-[[3-benzoyl-2,6-dihydroxy-4-(3-methylbut-2-enoxy)phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 6,6-dimethyl-4-[[4-(3-methylbut-2-enoxy)-2,6-bis(oxidanyl)-3-(phenylcarbonyl)phenyl]methyl]-2-(2-methylpropanoyl)-3,5-bis(oxidanyl)cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C31H34O8
MOLECULAR WEIGHT: 534.59686
SMILES: CC(C)C(=O)C1=C(C(=C(C(C1=O)(C)C)O)CC2=C(C=C(C(=C2O)C(=O)C3=CC=CC=C3)OCC=C(C)C)O)O
Structure:
CAS RN: 111517-68-1
CAS Name: (2S,8S,14S,17S,20S,25S,28R,29S)-2-[(2S)-butan-2-yl]-28-ethyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,25,29-octamethyl-8-(2-methylpropyl)-14-propan-2-yl-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone
OPENEYE Name: (2S,8S,14S,17S,20S,25S,28R,29S)-28-ethyl-8-isobutyl-14-isopropyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,25,29-octamethyl-2-[(1S)-1-methylpropyl]-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone
IUPAC Name: (2S,8S,14S,17S,20S,25S,28R,29S)-2-[(2S)-butan-2-yl]-28-ethyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,25,29-octamethyl-8-(2-methylpropyl)-14-propan-2-yl-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone
SYSTEMATIC NAME: (2S,8S,14S,17S,20S,25S,28R,29S)-2-[(2S)-butan-2-yl]-28-ethyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,25,29-octamethyl-8-(2-methylpropyl)-14-propan-2-yl-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone
MOLECULAR FORMULA: C50H80N8O12
MOLECULAR WEIGHT: 985.2166
SMILES: CC[C@@H]1[C@@H](C(=O)O[C@H](C(=O)NCC(=O)N([C@H](C(=O)NCC(=O)N([C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)C(C(=O)N[C@H](C(=O)N1)C)(C)C)C)CC2=CC=C(C=C2)OC)C)C(C)C)C)CC(C)C)C)[C@@H](C)CC)C
Structure:
CAS RN: 63555-35-1
CAS Name: 2,3,4,5-tetrachloro-6-(3-hydroxy-2,4,5,7-tetraiodo-6-oxo-9-xanthenyl)benzoic acid 2,3-dihydroxypropyl ester
OPENEYE Name: 2,3-dihydroxypropyl 2,3,4,5-tetrachloro-6-(3-hydroxy-2,4,5,7-tetraiodo-6-oxo-xanthen-9-yl)benzoate
IUPAC Name: 2,3-dihydroxypropyl 2,3,4,5-tetrachloro-6-(3-hydroxy-2,4,5,7-tetraiodo-6-oxoxanthen-9-yl)benzoate
SYSTEMATIC NAME: 2,3-bis(oxidanyl)propyl 2,3,4,5-tetrakis(chloranyl)-6-[2,4,5,7-tetrakis(iodanyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoate
MOLECULAR FORMULA: C23H10Cl4I4O7
MOLECULAR WEIGHT: 1047.75118
SMILES: C1=C2C(=C3C=C(C(=O)C(=C3OC2=C(C(=C1I)O)I)I)I)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)OCC(CO)O
Structure:
CAS RN: 63555-33-9
CAS Name: 2,3,4,5-tetrachloro-6-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-9-xanthenyl)benzoic acid 2-hydroxyethyl ester
OPENEYE Name: 2-hydroxyethyl 2,3,4,5-tetrachloro-6-(2,4,5,7-tetrabromo-3-hydroxy-6-oxo-xanthen-9-yl)benzoate
IUPAC Name: 2-hydroxyethyl 2,3,4,5-tetrachloro-6-(2,4,5,7-tetrabromo-3-hydroxy-6-oxoxanthen-9-yl)benzoate
SYSTEMATIC NAME: 2-hydroxyethyl 2,3,4,5-tetrakis(chloranyl)-6-[2,4,5,7-tetrakis(bromanyl)-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoate
MOLECULAR FORMULA: C22H8Br4Cl4O6
MOLECULAR WEIGHT: 829.72332
SMILES: C1=C2C(=C3C=C(C(=O)C(=C3OC2=C(C(=C1Br)O)Br)Br)Br)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)OCCO
Structure:
CAS RN: 30766-22-4
CAS Name: 5-hydroxy-3-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 5-hydroxypyridine-3-carboxylate
IUPAC Name: methyl 5-hydroxypyridine-3-carboxylate
SYSTEMATIC NAME: methyl 5-oxidanylpyridine-3-carboxylate
MOLECULAR FORMULA: C7H7NO3
MOLECULAR WEIGHT: 153.13538
SMILES: COC(=O)C1=CC(=CN=C1)O
Structure:
CAS RN: 24242-19-1
CAS Name: 5-amino-3-pyridinecarboxylic acid
OPENEYE Name: 5-aminopyridine-3-carboxylic acid
IUPAC Name: 5-aminopyridine-3-carboxylic acid
SYSTEMATIC NAME: 5-azanylpyridine-3-carboxylic acid
MOLECULAR FORMULA: C6H6N2O2
MOLECULAR WEIGHT: 138.12404
SMILES: C1=C(C=NC=C1N)C(=O)O
Structure:
CAS RN: 101512-21-4
CAS Name: 5-hydroxy-3-pyridinecarboxamide
OPENEYE Name: 5-hydroxypyridine-3-carboxamide
IUPAC Name: 5-hydroxypyridine-3-carboxamide
SYSTEMATIC NAME: 5-oxidanylpyridine-3-carboxamide
MOLECULAR FORMULA: C6H6N2O2
MOLECULAR WEIGHT: 138.12404
SMILES: C1=C(C=NC=C1O)C(=O)N
Structure:
CAS RN: 77414-10-9
CAS Name: 2-methyl-3a-prop-2-enyl-3,5-dihydro-2H-furo[3,2-c][1,5]benzodiazepin-4-one
OPENEYE Name: 3a-allyl-2-methyl-3,5-dihydro-2H-furo[3,2-c][1,5]benzodiazepin-4-one
IUPAC Name: 2-methyl-3a-prop-2-enyl-3,5-dihydro-2H-furo[3,2-c][1,5]benzodiazepin-4-one
SYSTEMATIC NAME: 2-methyl-3a-prop-2-enyl-3,5-dihydro-2H-furo[3,2-c][1,5]benzodiazepin-4-one
MOLECULAR FORMULA: C15H16N2O2
MOLECULAR WEIGHT: 256.29974
SMILES: CC1CC2(C(=O)NC3=CC=CC=C3N=C2O1)CC=C
Structure:
CAS RN: 137052-81-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H22N2OS
MOLECULAR WEIGHT: 350.47718
SMILES: COC1=CC=C(C=C1)C2C3=CC=CN3C4=C(CN2)C5=C(S4)CCCC5
Structure:
CAS RN: 104664-35-9
CAS Name: N1,N1'-bis[2-(dimethylamino)ethyl]-2-(1-methyl-2-quinolin-1-iumyl)ethene-1,1-diamine iodide
OPENEYE Name: N1,N1'-bis[2-(dimethylamino)ethyl]-2-(1-methylquinolin-1-ium-2-yl)ethene-1,1-diamine iodide
IUPAC Name: 1-N,1-N'-bis[2-(dimethylamino)ethyl]-2-(1-methylquinolin-1-ium-2-yl)ethene-1,1-diamine iodide
SYSTEMATIC NAME: N1,N1'-bis[2-(dimethylamino)ethyl]-2-(1-methylquinolin-1-ium-2-yl)ethene-1,1-diamine iodide
MOLECULAR FORMULA: C20H32IN5
MOLECULAR WEIGHT: 469.40605
SMILES: C[N+]1=C(C=CC2=CC=CC=C21)C=C(NCCN(C)C)NCCN(C)C.[I-]
Structure:
CAS RN: 20007-85-6
CAS Name: (3'R)-3'-(3-hydroxyphenyl)-4-methylspiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
OPENEYE Name: (3'R)-3'-(3-hydroxyphenyl)-4-methyl-spiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
IUPAC Name: (3'R)-3'-(3-hydroxyphenyl)-4-methylspiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
SYSTEMATIC NAME: (3'R)-3'-(3-hydroxyphenyl)-4-methyl-spiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
MOLECULAR FORMULA: C17H14N2O4
MOLECULAR WEIGHT: 310.30406
SMILES: CN1C(=O)C2=CC=CC=C2NC(=O)C13[C@H](O3)C4=CC(=CC=C4)O
Structure:
CAS RN: 20007-87-8
CAS Name: (3'R)-4-methyl-3'-phenylspiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
OPENEYE Name: (3'R)-4-methyl-3'-phenyl-spiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
IUPAC Name: (3'R)-4-methyl-3'-phenylspiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
SYSTEMATIC NAME: (3'R)-4-methyl-3'-phenyl-spiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
MOLECULAR FORMULA: C17H14N2O3
MOLECULAR WEIGHT: 294.30466
SMILES: CN1C(=O)C2=CC=CC=C2NC(=O)C13[C@H](O3)C4=CC=CC=C4
Structure:
CAS RN: 63617-54-9
CAS Name: [9-(dimethylamino)-5-benzo[a]phenoxazinylidene]-[3-[[9-(dimethylamino)-5-benzo[a]phenoxazinylidene]ammonio]propyl]ammonium chloride
OPENEYE Name: [9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]-[3-[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]ammoniopropyl]ammonium chloride
IUPAC Name: [9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]-[3-[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]azaniumylpropyl]azanium chloride
SYSTEMATIC NAME: [9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]-[3-[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]azaniumylpropyl]azanium chloride
MOLECULAR FORMULA: C39H36ClN6O2+
MOLECULAR WEIGHT: 656.19514
SMILES: CN(C)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=[NH+]CCC[NH+]=C5C=C6C(=NC7=C(O6)C=C(C=C7)N(C)C)C8=CC=CC=C85)C=C3O2.[Cl-]
Structure:
CAS RN: 63617-52-7
CAS Name: [6-[[8-[[9-(dimethylamino)-5-benzo[a]phenoxazinylidene]ammonio]-1-naphthalenyl]amino]-9-benzo[a]phenoxazinylidene]-dimethylammonium chloride
OPENEYE Name: [6-[[8-[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]ammonio-1-naphthyl]amino]benzo[a]phenoxazin-9-ylidene]-dimethyl-ammonium chloride
IUPAC Name: [6-[[8-[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]azaniumylnaphthalen-1-yl]amino]benzo[a]phenoxazin-9-ylidene]-dimethylazanium chloride
SYSTEMATIC NAME: [6-[[8-[9-(dimethylamino)benzo[a]phenoxazin-5-ylidene]azaniumylnaphthalen-1-yl]amino]benzo[a]phenoxazin-9-ylidene]-dimethyl-azanium chloride
MOLECULAR FORMULA: C46H36ClN6O2+
MOLECULAR WEIGHT: 740.27004
SMILES: CN(C)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=[NH+]C5=CC=CC6=C5C(=CC=C6)NC7=CC8=CC=CC=C8C9=C7OC1=CC(=[N+](C)C)C=CC1=N9)C=C3O2.[Cl-]
Structure:
CAS RN: 92215-75-3
CAS Name: 2-[4-(2,5-dimethyl-1-pyrrolyl)phenoxy]acetamide
OPENEYE Name: 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]acetamide
IUPAC Name: 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]acetamide
SYSTEMATIC NAME: 2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]ethanamide
MOLECULAR FORMULA: C14H16N2O2
MOLECULAR WEIGHT: 244.28904
SMILES: CC1=CC=C(N1C2=CC=C(C=C2)OCC(=O)N)C
Structure:
CAS RN: 4933-84-0
CAS Name: 6-aminocyclohexane-1,2,3,4,5-pentol hydrochloride
OPENEYE Name: 6-aminocyclohexane-1,2,3,4,5-pentol hydrochloride
IUPAC Name: 6-aminocyclohexane-1,2,3,4,5-pentol hydrochloride
SYSTEMATIC NAME: 6-azanylcyclohexane-1,2,3,4,5-pentol hydrochloride
MOLECULAR FORMULA: C6H14ClNO5
MOLECULAR WEIGHT: 215.63206
SMILES: C1(C(C(C(C(C1O)O)O)O)O)N.Cl
Structure:
CAS RN: 84803-71-4
CAS Name: 1,5-bis(4-chlorophenyl)-2,2-dimethylimidazo[4,5-b]phenazine
OPENEYE Name: 1,5-bis(4-chlorophenyl)-2,2-dimethyl-imidazo[4,5-b]phenazine
IUPAC Name: 1,5-bis(4-chlorophenyl)-2,2-dimethylimidazo[4,5-b]phenazine
SYSTEMATIC NAME: 1,5-bis(4-chlorophenyl)-2,2-dimethyl-imidazo[4,5-b]phenazine
MOLECULAR FORMULA: C27H20Cl2N4
MOLECULAR WEIGHT: 471.3805
SMILES: CC1(N=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=C(C=C5)Cl)C=C2N1C6=CC=C(C=C6)Cl)C
Structure:
CAS RN: 72183-90-5
CAS Name: (4R,4aS,6bR,8aS,12aR,14aS)-6a-(hydroxymethyl)-4,4a,6b,8a,11,11,14a-heptamethyl-1,2,4,5,6,6a,7,8,9,12,12a,13,14,14b-tetradecahydropicene-3,10-dione
OPENEYE Name: (4R,4aS,6bR,8aS,12aR,14aS)-6a-(hydroxymethyl)-4,4a,6b,8a,11,11,14a-heptamethyl-1,2,4,5,6,6a,7,8,9,12,12a,13,14,14b-tetradecahydropicene-3,10-dione
IUPAC Name: (4R,4aS,6bR,8aS,12aR,14aS)-6a-(hydroxymethyl)-4,4a,6b,8a,11,11,14a-heptamethyl-1,2,4,5,6,6a,7,8,9,12,12a,13,14,14b-tetradecahydropicene-3,10-dione
SYSTEMATIC NAME: (4R,4aS,6bR,8aS,12aR,14aS)-6a-(hydroxymethyl)-4,4a,6b,8a,11,11,14a-heptamethyl-1,2,4,5,6,6a,7,8,9,12,12a,13,14,14b-tetradecahydropicene-3,10-dione
MOLECULAR FORMULA: C30H48O3
MOLECULAR WEIGHT: 456.70032
SMILES: C[C@H]1C(=O)CCC2[C@@]1(CCC3[C@]2(CCC4([C@@]3(CC[C@@]5([C@H]4CC(C(=O)C5)(C)C)C)C)CO)C)C
Structure:
CAS RN: 63914-00-1
CAS Name: N-[[6-methoxy-2-(trichloromethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methylideneamino]-2,4-dinitroaniline
OPENEYE Name: N-[[6-methoxy-2-(trichloromethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyleneamino]-2,4-dinitro-aniline
IUPAC Name: N-[[6-methoxy-2-(trichloromethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methylideneamino]-2,4-dinitroaniline
SYSTEMATIC NAME: N-[[6-methoxy-2-(trichloromethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methylideneamino]-2,4-dinitro-aniline
MOLECULAR FORMULA: C14H13Cl3N4O8
MOLECULAR WEIGHT: 471.63402
SMILES: COC1C(OC2C1OC(O2)C(Cl)(Cl)Cl)C=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 100367-77-9
CAS Name: 2-bromo-4-thiazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-bromothiazole-4-carboxylate
IUPAC Name: ethyl 2-bromo-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: ethyl 2-bromanyl-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C6H6BrNO2S
MOLECULAR WEIGHT: 236.08634
SMILES: CCOC(=O)C1=CSC(=N1)Br
Structure:
CAS RN: 58046-54-1
CAS Name: 5-amino-1-phenyl-4-pyrazolecarbohydrazide
OPENEYE Name: 5-amino-1-phenyl-pyrazole-4-carbohydrazide
IUPAC Name: 5-amino-1-phenylpyrazole-4-carbohydrazide
SYSTEMATIC NAME: 5-azanyl-1-phenyl-pyrazole-4-carbohydrazide
MOLECULAR FORMULA: C10H11N5O
MOLECULAR WEIGHT: 217.22724
SMILES: C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NN)N
Structure:
CAS RN: 63647-54-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H28N2O4
MOLECULAR WEIGHT: 384.46872
SMILES: CCC1(CC2C3C1N4C2C5(CC4)C6=CC=CC=C6NC5=C3C(=O)OC)O.CO
Structure:
CAS RN: 485-61-0
CAS Name: 2-(1,3-benzodioxol-5-yl)-1-methyl-4-quinolinone
OPENEYE Name: 2-(1,3-benzodioxol-5-yl)-1-methyl-quinolin-4-one
IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-methylquinolin-4-one
SYSTEMATIC NAME: 2-(1,3-benzodioxol-5-yl)-1-methyl-quinolin-4-one
MOLECULAR FORMULA: C17H13NO3
MOLECULAR WEIGHT: 279.29002
SMILES: CN1C2=CC=CC=C2C(=O)C=C1C3=CC4=C(C=C3)OCO4
Structure:
CAS RN: 91918-81-9
CAS Name: 2-(1,3-benzodioxol-5-yl)-5-bromo-6-(4-bromophenyl)imidazo[2,1-b][1,3,4]thiadiazole
OPENEYE Name: 2-(1,3-benzodioxol-5-yl)-5-bromo-6-(4-bromophenyl)imidazo[2,1-b][1,3,4]thiadiazole
IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-bromo-6-(4-bromophenyl)imidazo[2,1-b][1,3,4]thiadiazole
SYSTEMATIC NAME: 2-(1,3-benzodioxol-5-yl)-5-bromanyl-6-(4-bromophenyl)imidazo[2,1-b][1,3,4]thiadiazole
MOLECULAR FORMULA: C17H9Br2N3O2S
MOLECULAR WEIGHT: 479.14526
SMILES: C1OC2=C(O1)C=C(C=C2)C3=NN4C(=C(N=C4S3)C5=CC=C(C=C5)Br)Br
Structure:
CAS RN: 91918-74-0
CAS Name: 5-methyl-6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
OPENEYE Name: 5-methyl-6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
IUPAC Name: 5-methyl-6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SYSTEMATIC NAME: 5-methyl-6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
MOLECULAR FORMULA: C20H19N3O3S
MOLECULAR WEIGHT: 381.44816
SMILES: CC1=C(N=C2N1N=C(S2)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=CC=C4
Structure:
CAS RN: 91918-65-9
CAS Name: 2-(1,3-benzodioxol-5-yl)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole
OPENEYE Name: 2-(1,3-benzodioxol-5-yl)-6-(p-tolyl)imidazo[2,1-b][1,3,4]thiadiazole
IUPAC Name: 2-(1,3-benzodioxol-5-yl)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SYSTEMATIC NAME: 2-(1,3-benzodioxol-5-yl)-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole
MOLECULAR FORMULA: C18H13N3O2S
MOLECULAR WEIGHT: 335.37972
SMILES: CC1=CC=C(C=C1)C2=CN3C(=N2)SC(=N3)C4=CC5=C(C=C4)OCO5
Structure:
CAS RN: 81199-30-6
CAS Name: 1-amino-3-(3-chlorophenyl)pyrrolidine-2,5-dione
OPENEYE Name: 1-amino-3-(3-chlorophenyl)pyrrolidine-2,5-dione
IUPAC Name: 1-amino-3-(3-chlorophenyl)pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-azanyl-3-(3-chlorophenyl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C10H9ClN2O2
MOLECULAR WEIGHT: 224.64366
SMILES: C1C(C(=O)N(C1=O)N)C2=CC(=CC=C2)Cl
Structure:
CAS RN: 6531-58-4
CAS Name: 6-methyl-2-(methylthio)-4-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester
OPENEYE Name: ethyl 6-methyl-2-methylsulfanyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate
IUPAC Name: ethyl 6-methyl-2-methylsulfanyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate
SYSTEMATIC NAME: ethyl 6-methyl-2-methylsulfanyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate
MOLECULAR FORMULA: C15H18N2O2S
MOLECULAR WEIGHT: 290.38062
SMILES: CCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2)SC)C
Structure:
CAS RN: 2886-33-1
CAS Name: 2-aminobutanedioic acid bis(phenylmethyl) ester; 4-methylbenzenesulfonic acid
OPENEYE Name: dibenzyl 2-aminobutanedioate; 4-methylbenzenesulfonic acid
IUPAC Name: dibenzyl 2-aminobutanedioate; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: bis(phenylmethyl) 2-azanylbutanedioate; 4-methylbenzenesulfonic acid
MOLECULAR FORMULA: C25H27NO7S
MOLECULAR WEIGHT: 485.54938
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)CC(C(=O)OCC2=CC=CC=C2)N
Structure:
CAS RN: 1678-18-8
CAS Name: phenacyl(triphenyl)phosphonium chloride
OPENEYE Name: phenacyl(triphenyl)phosphonium chloride
IUPAC Name: phenacyl(triphenyl)phosphanium chloride
SYSTEMATIC NAME: phenacyl(triphenyl)phosphanium chloride
MOLECULAR FORMULA: C26H22ClOP
MOLECULAR WEIGHT: 416.879041
SMILES: C1=CC=C(C=C1)C(=O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]
Structure:
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