CAS RN: 12319-88-9
CAS Name: 5-acetyl-3-phenyl-2-(1-piperidin-1-iumylidene)-4-thiazololate
OPENEYE Name: 5-acetyl-3-phenyl-2-piperidin-1-ium-1-ylidene-thiazol-4-olate
IUPAC Name: 5-acetyl-3-phenyl-2-piperidin-1-ium-1-ylidene-1,3-thiazol-4-olate
SYSTEMATIC NAME: 5-ethanoyl-3-phenyl-2-piperidin-1-ium-1-ylidene-1,3-thiazol-4-olate
MOLECULAR FORMULA: C16H18N2O2S
MOLECULAR WEIGHT: 302.39132
SMILES: CC(=O)C1=C(N(C(=[N+]2CCCCC2)S1)C3=CC=CC=C3)[O-]
Structure:
CAS RN: 29868-84-6
CAS Name: 5-acetyl-3-phenyl-2-(1-piperidin-1-iumylidene)-4-thiazololate
OPENEYE Name: 5-acetyl-3-phenyl-2-piperidin-1-ium-1-ylidene-thiazol-4-olate
IUPAC Name: 5-acetyl-3-phenyl-2-piperidin-1-ium-1-ylidene-1,3-thiazol-4-olate
SYSTEMATIC NAME: 5-ethanoyl-3-phenyl-2-piperidin-1-ium-1-ylidene-1,3-thiazol-4-olate
MOLECULAR FORMULA: C16H18N2O2S
MOLECULAR WEIGHT: 302.39132
SMILES: CC(=O)C1=C(N(C(=[N+]2CCCCC2)S1)C3=CC=CC=C3)[O-]
Structure:
CAS RN: 29854-52-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H21N3O4
MOLECULAR WEIGHT: 379.40914
SMILES: C1CN2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2C61C7=C5C=CC(=C7)[N+](=O)[O-]
Structure:
CAS RN: 29847-81-2
CAS Name: (1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol hydrochloride
OPENEYE Name: (1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol hydrochloride
IUPAC Name: (1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol hydrochloride
SYSTEMATIC NAME: (1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol hydrochloride
MOLECULAR FORMULA: C22H38ClNO2
MOLECULAR WEIGHT: 383.99562
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)NC)C)CO)O.Cl
Structure:
CAS RN: 29847-80-1
CAS Name: (1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol hydrobromide
OPENEYE Name: (1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol hydrobromide
IUPAC Name: (1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol hydrobromide
SYSTEMATIC NAME: (1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol hydrobromide
MOLECULAR FORMULA: C22H38BrNO2
MOLECULAR WEIGHT: 428.44662
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)NC)C)CO)O.Br
Structure:
CAS RN: 29839-63-2
CAS Name: 7-oxadispiro[5.1.5^{8}.2^{6}]pentadecan-14-ol
OPENEYE Name: 7-oxadispiro[5.1.5^{8}.2^{6}]pentadecan-14-ol
IUPAC Name: 7-oxadispiro[5.1.5^{8}.2^{6}]pentadecan-14-ol
SYSTEMATIC NAME: 7-oxadispiro[5.1.5^{8}.2^{6}]pentadecan-14-ol
MOLECULAR FORMULA: C14H24O2
MOLECULAR WEIGHT: 224.33916
SMILES: C1CCC2(CC1)CC(C3(O2)CCCCC3)O
Structure:
CAS RN: 29836-66-6
CAS Name: N-(3-cyclohexyl-5-oxadiazol-3-iumyl)acetamide chloride
OPENEYE Name: N-(3-cyclohexyloxadiazol-3-ium-5-yl)acetamide chloride
IUPAC Name: N-(3-cyclohexyloxadiazol-3-ium-5-yl)acetamide chloride
SYSTEMATIC NAME: N-(3-cyclohexyl-1,2,3-oxadiazol-3-ium-5-yl)ethanamide chloride
MOLECULAR FORMULA: C10H16ClN3O2
MOLECULAR WEIGHT: 245.70594
SMILES: CC(=O)NC1=C[N+](=NO1)C2CCCCC2.[Cl-]
Structure:
CAS RN: 29836-64-4
CAS Name: 3-cyclohexyl-5-propan-2-yl-4-oxadiazol-3-iumamine chloride
OPENEYE Name: 3-cyclohexyl-5-isopropyl-oxadiazol-3-ium-4-amine chloride
IUPAC Name: 3-cyclohexyl-5-propan-2-yloxadiazol-3-ium-4-amine chloride
SYSTEMATIC NAME: 3-cyclohexyl-5-propan-2-yl-1,2,3-oxadiazol-3-ium-4-amine chloride
MOLECULAR FORMULA: C11H20ClN3O
MOLECULAR WEIGHT: 245.749
SMILES: CC(C)C1=C([N+](=NO1)C2CCCCC2)N.[Cl-]
Structure:
CAS RN: 29833-28-1
CAS Name: 5-methyl-3-(4-morpholinyl)-4-oxadiazol-3-iumamine chloride
OPENEYE Name: 5-methyl-3-morpholino-oxadiazol-3-ium-4-amine chloride
IUPAC Name: 5-methyl-3-morpholin-4-yloxadiazol-3-ium-4-amine chloride
SYSTEMATIC NAME: 5-methyl-3-morpholin-4-yl-1,2,3-oxadiazol-3-ium-4-amine chloride
MOLECULAR FORMULA: C7H13ClN4O2
MOLECULAR WEIGHT: 220.65672
SMILES: CC1=C([N+](=NO1)N2CCOCC2)N.[Cl-]
Structure:
CAS RN: 29832-29-9
CAS Name: 2-methyl-2-propenoic acid (7-oxo-1-cyclohepta-1,3,5-trienyl) ester
OPENEYE Name: (7-oxocyclohepta-1,3,5-trien-1-yl) 2-methylprop-2-enoate
IUPAC Name: (7-oxocyclohepta-1,3,5-trien-1-yl) 2-methylprop-2-enoate
SYSTEMATIC NAME: (7-oxidanylidenecyclohepta-1,3,5-trien-1-yl) 2-methylprop-2-enoate
MOLECULAR FORMULA: C11H10O3
MOLECULAR WEIGHT: 190.1953
SMILES: CC(=C)C(=O)OC1=CC=CC=CC1=O
Structure:
CAS RN: 532-36-5
CAS Name: 2-methyl-2-propenoic acid (7-oxo-1-cyclohepta-1,3,5-trienyl) ester
OPENEYE Name: (7-oxocyclohepta-1,3,5-trien-1-yl) 2-methylprop-2-enoate
IUPAC Name: (7-oxocyclohepta-1,3,5-trien-1-yl) 2-methylprop-2-enoate
SYSTEMATIC NAME: (7-oxidanylidenecyclohepta-1,3,5-trien-1-yl) 2-methylprop-2-enoate
MOLECULAR FORMULA: C11H10O3
MOLECULAR WEIGHT: 190.1953
SMILES: CC(=C)C(=O)OC1=CC=CC=CC1=O
Structure:
CAS RN: 29820-40-4
CAS Name: (2S)-1-[[4-[(2-carboxybutylamino)-oxomethyl]-2,3,5,6-tetraiodophenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[4-(2-carboxybutylcarbamoyl)-2,3,5,6-tetraiodo-benzoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[4-(2-carboxybutylcarbamoyl)-2,3,5,6-tetraiodobenzoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[4-(2-carboxybutylcarbamoyl)-2,3,5,6-tetrakis(iodanyl)phenyl]carbonylpyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C18H18I4N2O6
MOLECULAR WEIGHT: 865.9632
SMILES: CCC(CNC(=O)C1=C(C(=C(C(=C1I)I)C(=O)N2CCC[C@H]2C(=O)O)I)I)C(=O)O
Structure:
CAS RN: 29820-36-8
CAS Name: (2S)-1-[[4-[[carboxymethyl(methyl)amino]-oxomethyl]-2,3,5,6-tetraiodophenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[4-[carboxymethyl(methyl)carbamoyl]-2,3,5,6-tetraiodo-benzoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[4-[carboxymethyl(methyl)carbamoyl]-2,3,5,6-tetraiodobenzoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[4-[2-hydroxy-2-oxoethyl(methyl)carbamoyl]-2,3,5,6-tetrakis(iodanyl)phenyl]carbonylpyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C16H14I4N2O6
MOLECULAR WEIGHT: 837.91004
SMILES: CN(CC(=O)O)C(=O)C1=C(C(=C(C(=C1I)I)C(=O)N2CCC[C@H]2C(=O)O)I)I
Structure:
CAS RN: 29820-33-5
CAS Name: (2S)-1-[oxo-[2,3,5,6-tetraiodo-4-(methylcarbamoyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[2,3,5,6-tetraiodo-4-(methylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[2,3,5,6-tetraiodo-4-(methylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[2,3,5,6-tetrakis(iodanyl)-4-(methylcarbamoyl)phenyl]carbonylpyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C14H12I4N2O4
MOLECULAR WEIGHT: 779.87396
SMILES: CNC(=O)C1=C(C(=C(C(=C1I)I)C(=O)N2CCC[C@H]2C(=O)O)I)I
Structure:
CAS RN: 29820-32-4
CAS Name: (2S)-1-[oxo-[2,3,5,6-tetraiodo-4-[4-morpholinyl(oxo)methyl]phenyl]methyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[2,3,5,6-tetraiodo-4-(morpholine-4-carbonyl)benzoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[2,3,5,6-tetraiodo-4-(morpholine-4-carbonyl)benzoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[2,3,5,6-tetrakis(iodanyl)-4-morpholin-4-ylcarbonyl-phenyl]carbonylpyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C17H16I4N2O5
MOLECULAR WEIGHT: 835.93722
SMILES: C1C[C@H](N(C1)C(=O)C2=C(C(=C(C(=C2I)I)C(=O)N3CCOCC3)I)I)C(=O)O
Structure:
CAS RN: 29820-30-2
CAS Name: (2S)-4-methyl-2-[[oxo-[2,3,5,6-tetraiodo-4-[4-morpholinyl(oxo)methyl]phenyl]methyl]amino]pentanoic acid
OPENEYE Name: (2S)-4-methyl-2-[[2,3,5,6-tetraiodo-4-(morpholine-4-carbonyl)benzoyl]amino]pentanoic acid
IUPAC Name: (2S)-4-methyl-2-[[2,3,5,6-tetraiodo-4-(morpholine-4-carbonyl)benzoyl]amino]pentanoic acid
SYSTEMATIC NAME: (2S)-4-methyl-2-[[2,3,5,6-tetrakis(iodanyl)-4-morpholin-4-ylcarbonyl-phenyl]carbonylamino]pentanoic acid
MOLECULAR FORMULA: C18H20I4N2O5
MOLECULAR WEIGHT: 851.97968
SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)C1=C(C(=C(C(=C1I)I)C(=O)N2CCOCC2)I)I
Structure:
CAS RN: 29809-48-1
CAS Name: [amino-(methylthio)phosphinothioyl]oxymethane
OPENEYE Name: [amino(methylsulfanyl)phosphinothioyl]oxymethane
IUPAC Name: [amino(methylsulfanyl)phosphinothioyl]oxymethane
SYSTEMATIC NAME: [azanyl(methylsulfanyl)phosphinothioyl]oxymethane
MOLECULAR FORMULA: C2H8NOPS2
MOLECULAR WEIGHT: 157.194781
SMILES: COP(=S)(N)SC
Structure:
CAS RN: 29802-63-9
CAS Name: cyclohexanamine; (3-fluoro-2-hydroxypropyl) dihydrogen phosphate
OPENEYE Name: cyclohexanamine; (3-fluoro-2-hydroxy-propyl) dihydrogen phosphate
IUPAC Name: cyclohexanamine; (3-fluoro-2-hydroxypropyl) dihydrogen phosphate
SYSTEMATIC NAME: cyclohexanamine; (3-fluoranyl-2-oxidanyl-propyl) dihydrogen phosphate
MOLECULAR FORMULA: C15H34FN2O5P
MOLECULAR WEIGHT: 372.413024
SMILES: C1CCC(CC1)N.C1CCC(CC1)N.C(C(CF)O)OP(=O)(O)O
Structure:
CAS RN: 29800-19-9
CAS Name: 2-(diethoxyphosphinothioylthio)-N-ethylacetamide
OPENEYE Name: 2-diethoxyphosphinothioylsulfanyl-N-ethyl-acetamide
IUPAC Name: 2-diethoxyphosphinothioylsulfanyl-N-ethylacetamide
SYSTEMATIC NAME: 2-diethoxyphosphinothioylsulfanyl-N-ethyl-ethanamide
MOLECULAR FORMULA: C8H18NO3PS2
MOLECULAR WEIGHT: 271.337181
SMILES: CCNC(=O)CSP(=S)(OCC)OCC
Structure:
No comments:
Post a Comment