CAS RN: 71950-48-6
CAS Name: carbamic acid [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-5-methyl-4-oxo-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]amino]-5-[[2-(aminomethylideneamino)-1-oxoethyl]-methylamino]-4-hydroxy-2-(hydroxymethyl)-3-oxanyl] ester
OPENEYE Name: [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-5-methyl-4-oxo-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]amino]-5-[[2-(aminomethyleneamino)acetyl]-methyl-amino]-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] carbamate
IUPAC Name: [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-7-hydroxy-5-methyl-4-oxo-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]amino]-5-[[2-(aminomethylideneamino)acetyl]-methylamino]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] carbamate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-6-[[(3aS,7R,7aS)-5-methyl-7-oxidanyl-4-oxidanylidene-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]amino]-5-[2-(azanylmethylideneamino)ethanoyl-methyl-amino]-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] carbamate
MOLECULAR FORMULA: C18H30N8O8
MOLECULAR WEIGHT: 486.4796
SMILES: CN1C[C@H]([C@@H]2[C@@H](C1=O)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)N(C)C(=O)CN=CN)O
Structure:
CAS RN: 29261-37-8
CAS Name: 2-[3-(trifluoromethyl)anilino]benzoic acid benzoyloxymethyl ester
OPENEYE Name: benzoyloxymethyl 2-[3-(trifluoromethyl)anilino]benzoate
IUPAC Name: benzoyloxymethyl 2-[3-(trifluoromethyl)anilino]benzoate
SYSTEMATIC NAME: phenylcarbonyloxymethyl 2-[[3-(trifluoromethyl)phenyl]amino]benzoate
MOLECULAR FORMULA: C22H16F3NO4
MOLECULAR WEIGHT: 415.36195
SMILES: C1=CC=C(C=C1)C(=O)OCOC(=O)C2=CC=CC=C2NC3=CC=CC(=C3)C(F)(F)F
Structure:
CAS RN: 29253-86-9
CAS Name: acetic acid [(2R,4S,6R)-3-[[(2S,4S,5R,6R)-4-acetyloxy-5-[[(2S,4S,5R,6R)-4,5-diacetyloxy-6-methyl-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-6-[[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,
OPENEYE Name: [(2R,4S,6R)-3-[(2S,4S,5R,6R)-4-acetoxy-5-[(2S,4S,5R,6R)-4,5-diacetoxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-6-[[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12
IUPAC Name: [(2R,4S,6R)-3-[(2S,4S,5R,6R)-4-acetyloxy-5-[(2S,4S,5R,6R)-4,5-diacetyloxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-[[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecah
SYSTEMATIC NAME: [(2R,4S,6R)-3-[(2S,4S,5R,6R)-4-acetyloxy-5-[(2S,4S,5R,6R)-4,5-diacetyloxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-6-[[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-10,13-dimethyl-14,16-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,
MOLECULAR FORMULA: C49H72O18
MOLECULAR WEIGHT: 949.08518
SMILES: C[C@@H]1[C@H]([C@H](C[C@@H](O1)OC2[C@H](O[C@H](C[C@@H]2OC(=O)C)O[C@H]3CC[C@]4([C@@H](C3)CC[C@@H]5[C@@H]4CC[C@]6([C@@]5(C[C@@H]([C@@H]6C7=CC(=O)OC7)O)O)C)C)C)OC(=O)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 29250-47-3
CAS Name: 5-ethenyl-2H-tetrazole
OPENEYE Name: 5-vinyl-2H-tetrazole
IUPAC Name: 5-ethenyl-2H-tetrazole
SYSTEMATIC NAME: 5-ethenyl-2H-1,2,3,4-tetrazole
MOLECULAR FORMULA: C3H4N4
MOLECULAR WEIGHT: 96.09066
SMILES: C=CC1=NNN=N1
Structure:
CAS RN: 29246-36-4
CAS Name: N-(4-chlorophenyl)-10-undecenamide
OPENEYE Name: N-(4-chlorophenyl)undec-10-enamide
IUPAC Name: N-(4-chlorophenyl)undec-10-enamide
SYSTEMATIC NAME: N-(4-chlorophenyl)undec-10-enamide
MOLECULAR FORMULA: C17H24ClNO
MOLECULAR WEIGHT: 293.83156
SMILES: C=CCCCCCCCCC(=O)NC1=CC=C(C=C1)Cl
Structure:
CAS RN: 29246-34-2
CAS Name: N-phenyl-10-undecenamide
OPENEYE Name: N-phenylundec-10-enamide
IUPAC Name: N-phenylundec-10-enamide
SYSTEMATIC NAME: N-phenylundec-10-enamide
MOLECULAR FORMULA: C17H25NO
MOLECULAR WEIGHT: 259.3865
SMILES: C=CCCCCCCCCC(=O)NC1=CC=CC=C1
Structure:
CAS RN: 29242-43-1
CAS Name: 6-(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-methyl-3-pyridazinone hydrochloride
OPENEYE Name: 6-(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-methyl-pyridazin-3-one hydrochloride
IUPAC Name: 6-(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-methylpyridazin-3-one hydrochloride
SYSTEMATIC NAME: 6-(4-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-methyl-pyridazin-3-one hydrochloride
MOLECULAR FORMULA: C15H19Cl2N3O
MOLECULAR WEIGHT: 328.23686
SMILES: CC1=CC(=NN(C1=O)CCN(C)C)C2=CC=C(C=C2)Cl.Cl
Structure:
CAS RN: 29242-40-8
CAS Name: 6-(2-chlorophenyl)-4-methyl-2-[2-(4-morpholinyl)ethyl]-3-pyridazinone hydrochloride
OPENEYE Name: 6-(2-chlorophenyl)-4-methyl-2-(2-morpholinoethyl)pyridazin-3-one hydrochloride
IUPAC Name: 6-(2-chlorophenyl)-4-methyl-2-(2-morpholin-4-ylethyl)pyridazin-3-one hydrochloride
SYSTEMATIC NAME: 6-(2-chlorophenyl)-4-methyl-2-(2-morpholin-4-ylethyl)pyridazin-3-one hydrochloride
MOLECULAR FORMULA: C17H21Cl2N3O2
MOLECULAR WEIGHT: 370.27354
SMILES: CC1=CC(=NN(C1=O)CCN2CCOCC2)C3=CC=CC=C3Cl.Cl
Structure:
CAS RN: 29242-38-4
CAS Name: 4-methyl-6-(3-methylphenyl)-2-[2-(4-morpholinyl)ethyl]-3-pyridazinone hydrochloride
OPENEYE Name: 4-methyl-2-(2-morpholinoethyl)-6-(m-tolyl)pyridazin-3-one hydrochloride
IUPAC Name: 4-methyl-6-(3-methylphenyl)-2-(2-morpholin-4-ylethyl)pyridazin-3-one hydrochloride
SYSTEMATIC NAME: 4-methyl-6-(3-methylphenyl)-2-(2-morpholin-4-ylethyl)pyridazin-3-one hydrochloride
MOLECULAR FORMULA: C18H24ClN3O2
MOLECULAR WEIGHT: 349.85506
SMILES: CC1=CC=CC(=C1)C2=NN(C(=O)C(=C2)C)CCN3CCOCC3.Cl
Structure:
CAS RN: 29242-37-3
CAS Name: 4-methyl-6-(2-methylphenyl)-2-[2-(4-morpholinyl)ethyl]-3-pyridazinone hydrochloride
OPENEYE Name: 4-methyl-2-(2-morpholinoethyl)-6-(o-tolyl)pyridazin-3-one hydrochloride
IUPAC Name: 4-methyl-6-(2-methylphenyl)-2-(2-morpholin-4-ylethyl)pyridazin-3-one hydrochloride
SYSTEMATIC NAME: 4-methyl-6-(2-methylphenyl)-2-(2-morpholin-4-ylethyl)pyridazin-3-one hydrochloride
MOLECULAR FORMULA: C18H24ClN3O2
MOLECULAR WEIGHT: 349.85506
SMILES: CC1=CC=CC=C1C2=NN(C(=O)C(=C2)C)CCN3CCOCC3.Cl
Structure:
CAS RN: 29242-22-6
CAS Name: 4-(4-morpholinylmethyl)-9-xanthenone hydrochloride
OPENEYE Name: 4-(morpholinomethyl)xanthen-9-one hydrochloride
IUPAC Name: 4-(morpholin-4-ylmethyl)xanthen-9-one hydrochloride
SYSTEMATIC NAME: 4-(morpholin-4-ylmethyl)xanthen-9-one hydrochloride
MOLECULAR FORMULA: C18H18ClNO3
MOLECULAR WEIGHT: 331.79342
SMILES: C1COCCN1CC2=CC=CC3=C2OC4=CC=CC=C4C3=O.Cl
Structure:
CAS RN: 29242-19-1
CAS Name: 4-(1-pyrrolidinylmethyl)-9-xanthenone hydrochloride
OPENEYE Name: 4-(pyrrolidin-1-ylmethyl)xanthen-9-one hydrochloride
IUPAC Name: 4-(pyrrolidin-1-ylmethyl)xanthen-9-one hydrochloride
SYSTEMATIC NAME: 4-(pyrrolidin-1-ylmethyl)xanthen-9-one hydrochloride
MOLECULAR FORMULA: C18H18ClNO2
MOLECULAR WEIGHT: 315.79402
SMILES: C1CCN(C1)CC2=CC=CC3=C2OC4=CC=CC=C4C3=O.Cl
Structure:
CAS RN: 29242-17-9
CAS Name: 4-(diethylaminomethyl)-9-xanthenone hydrochloride
OPENEYE Name: 4-(diethylaminomethyl)xanthen-9-one hydrochloride
IUPAC Name: 4-(diethylaminomethyl)xanthen-9-one hydrochloride
SYSTEMATIC NAME: 4-(diethylaminomethyl)xanthen-9-one hydrochloride
MOLECULAR FORMULA: C18H20ClNO2
MOLECULAR WEIGHT: 317.8099
SMILES: CCN(CC)CC1=CC=CC2=C1OC3=CC=CC=C3C2=O.Cl
Structure:
CAS RN: 26538-97-6
CAS Name: 4-[(dimethylamino)methyl]-9-xanthenone
OPENEYE Name: 4-[(dimethylamino)methyl]xanthen-9-one
IUPAC Name: 4-[(dimethylamino)methyl]xanthen-9-one
SYSTEMATIC NAME: 4-[(dimethylamino)methyl]xanthen-9-one
MOLECULAR FORMULA: C16H15NO2
MOLECULAR WEIGHT: 253.2958
SMILES: CN(C)CC1=CC=CC2=C1OC3=CC=CC=C3C2=O
Structure:
CAS RN: 29242-15-7
CAS Name: 4-[(dimethylamino)methyl]-9-xanthenone hydrochloride
OPENEYE Name: 4-[(dimethylamino)methyl]xanthen-9-one hydrochloride
IUPAC Name: 4-[(dimethylamino)methyl]xanthen-9-one hydrochloride
SYSTEMATIC NAME: 4-[(dimethylamino)methyl]xanthen-9-one hydrochloride
MOLECULAR FORMULA: C16H16ClNO2
MOLECULAR WEIGHT: 289.75674
SMILES: CN(C)CC1=CC=CC2=C1OC3=CC=CC=C3C2=O.Cl
Structure:
CAS RN: 29218-38-0
CAS Name: carbamic acid [3-(2-methylphenyl)-2-oxo-5-oxazolidinyl]methyl ester
OPENEYE Name: [3-(o-tolyl)-2-oxo-oxazolidin-5-yl]methyl carbamate
IUPAC Name: [3-(2-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl carbamate
SYSTEMATIC NAME: [3-(2-methylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl carbamate
MOLECULAR FORMULA: C12H14N2O4
MOLECULAR WEIGHT: 250.25056
SMILES: CC1=CC=CC=C1N2CC(OC2=O)COC(=O)N
Structure:
CAS RN: 29218-37-9
CAS Name: carbamic acid [3-(3-methylphenyl)-2-oxo-5-oxazolidinyl]methyl ester
OPENEYE Name: [3-(m-tolyl)-2-oxo-oxazolidin-5-yl]methyl carbamate
IUPAC Name: [3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl carbamate
SYSTEMATIC NAME: [3-(3-methylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl carbamate
MOLECULAR FORMULA: C12H14N2O4
MOLECULAR WEIGHT: 250.25056
SMILES: CC1=CC(=CC=C1)N2CC(OC2=O)COC(=O)N
Structure:
CAS RN: 29218-36-8
CAS Name: carbamic acid [3-(4-methylphenyl)-2-oxo-5-oxazolidinyl]methyl ester
OPENEYE Name: [2-oxo-3-(p-tolyl)oxazolidin-5-yl]methyl carbamate
IUPAC Name: [3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl carbamate
SYSTEMATIC NAME: [3-(4-methylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl carbamate
MOLECULAR FORMULA: C12H14N2O4
MOLECULAR WEIGHT: 250.25056
SMILES: CC1=CC=C(C=C1)N2CC(OC2=O)COC(=O)N
Structure:
CAS RN: 29218-35-7
CAS Name: carbamic acid [3-(2-fluorophenyl)-2-oxo-5-oxazolidinyl]methyl ester
OPENEYE Name: [3-(2-fluorophenyl)-2-oxo-oxazolidin-5-yl]methyl carbamate
IUPAC Name: [3-(2-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl carbamate
SYSTEMATIC NAME: [3-(2-fluorophenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl carbamate
MOLECULAR FORMULA: C11H11FN2O4
MOLECULAR WEIGHT: 254.214443
SMILES: C1C(OC(=O)N1C2=CC=CC=C2F)COC(=O)N
Structure:
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