CAS RN: 121808-24-0
CAS Name: 3-[4-(2,6-dimethylheptyl)phenyl]-N-(2-hydroxyethyl)butanamide
OPENEYE Name: 3-[4-(2,6-dimethylheptyl)phenyl]-N-(2-hydroxyethyl)butanamide
IUPAC Name: 3-[4-(2,6-dimethylheptyl)phenyl]-N-(2-hydroxyethyl)butanamide
SYSTEMATIC NAME: 3-[4-(2,6-dimethylheptyl)phenyl]-N-(2-hydroxyethyl)butanamide
MOLECULAR FORMULA: C21H35NO2
MOLECULAR WEIGHT: 333.5081
SMILES: CC(C)CCCC(C)CC1=CC=C(C=C1)C(C)CC(=O)NCCO
Structure:
CAS RN: 121798-89-8
CAS Name: 11-[(1-methyl-3-piperidinyl)-oxomethyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one hydrochloride
OPENEYE Name: 11-(1-methylpiperidine-3-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one hydrochloride
IUPAC Name: 11-(1-methylpiperidine-3-carbonyl)-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one hydrochloride
SYSTEMATIC NAME: 11-(1-methylpiperidin-3-yl)carbonyl-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one hydrochloride
MOLECULAR FORMULA: C19H21ClN4O2
MOLECULAR WEIGHT: 372.84864
SMILES: CN1CCCC(C1)C(=O)N2C3=CC=CC=C3NC(=O)C4=C2N=CC=C4.Cl
Structure:
CAS RN: 121784-56-3
CAS Name: N,N-dimethyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
OPENEYE Name: N,N-dimethyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
IUPAC Name: N,N-dimethyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
SYSTEMATIC NAME: N,N-dimethyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
MOLECULAR FORMULA: C14H18N2
MOLECULAR WEIGHT: 214.30612
SMILES: CN(C)C1CCC2=C(C1)C3=C(C=C2)NC=C3
Structure:
CAS RN: 121769-90-2
CAS Name: 2-aminoethylarsonic acid
OPENEYE Name: 2-aminoethylarsonic acid
IUPAC Name: 2-aminoethylarsonic acid
SYSTEMATIC NAME: 2-azanylethylarsonic acid
MOLECULAR FORMULA: C2H8AsNO3
MOLECULAR WEIGHT: 169.01142
SMILES: C(C[As](=O)(O)O)N
Structure:
CAS RN: 121739-39-7
CAS Name: (8R,9S,10S,13S,14S)-10-(hydroxymethyl)-13-methyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
OPENEYE Name: (8R,9S,10S,13S,14S)-10-(hydroxymethyl)-13-methyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
IUPAC Name: (8R,9S,10S,13S,14S)-10-(hydroxymethyl)-13-methyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
SYSTEMATIC NAME: (8R,9S,10S,13S,14S)-10-(hydroxymethyl)-13-methyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
MOLECULAR FORMULA: C19H28O2
MOLECULAR WEIGHT: 288.42442
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CCCC[C@]34CO
Structure:
CAS RN: 107188-68-1
CAS Name: 5-bromo-N-[[1-[(4-fluorophenyl)methyl]-2-pyrrolidinyl]methyl]-2,3-dimethoxybenzamide
OPENEYE Name: 5-bromo-N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2,3-dimethoxy-benzamide
IUPAC Name: 5-bromo-N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2,3-dimethoxybenzamide
SYSTEMATIC NAME: 5-bromanyl-N-[[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2,3-dimethoxy-benzamide
MOLECULAR FORMULA: C21H24BrFN2O3
MOLECULAR WEIGHT: 451.329263
SMILES: COC1=C(C(=CC(=C1)Br)C(=O)NCC2CCCN2CC3=CC=C(C=C3)F)OC
Structure:
CAS RN: 121734-64-3
CAS Name: 1-(1,3-benzodioxol-5-yl)ethanamine
OPENEYE Name: 1-(1,3-benzodioxol-5-yl)ethanamine
IUPAC Name: 1-(1,3-benzodioxol-5-yl)ethanamine
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)ethanamine
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: CC(C1=CC2=C(C=C1)OCO2)N
Structure:
CAS RN: 107188-66-9
CAS Name: 5-bromo-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,3-dimethoxybenzamide
OPENEYE Name: 5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethoxy-benzamide
IUPAC Name: 5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethoxybenzamide
SYSTEMATIC NAME: 5-bromanyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dimethoxy-benzamide
MOLECULAR FORMULA: C16H23BrN2O3
MOLECULAR WEIGHT: 371.26942
SMILES: CCN1CCCC1CNC(=O)C2=CC(=CC(=C2OC)OC)Br
Structure:
CAS RN: 107186-52-7
CAS Name: 5-bromo-4-[(3-ethoxy-4-methoxyphenyl)methylamino]-1H-pyridazin-6-one
OPENEYE Name: 5-bromo-4-[(3-ethoxy-4-methoxy-phenyl)methylamino]-1H-pyridazin-6-one
IUPAC Name: 5-bromo-4-[(3-ethoxy-4-methoxyphenyl)methylamino]-1H-pyridazin-6-one
SYSTEMATIC NAME: 5-bromanyl-4-[(3-ethoxy-4-methoxy-phenyl)methylamino]-1H-pyridazin-6-one
MOLECULAR FORMULA: C14H16BrN3O3
MOLECULAR WEIGHT: 354.19914
SMILES: CCOC1=C(C=CC(=C1)CNC2=C(C(=O)NN=C2)Br)OC
Structure:
CAS RN: 107167-31-7
CAS Name: 5-oxo-2-oxolanecarboxylic acid (4-acetamido-3-oxo-2-isoxazolidinyl) ester
OPENEYE Name: (4-acetamido-3-oxo-isoxazolidin-2-yl) 5-oxotetrahydrofuran-2-carboxylate
IUPAC Name: (4-acetamido-3-oxo-1,2-oxazolidin-2-yl) 5-oxooxolane-2-carboxylate
SYSTEMATIC NAME: (4-acetamido-3-oxidanylidene-1,2-oxazolidin-2-yl) 5-oxidanylideneoxolane-2-carboxylate
MOLECULAR FORMULA: C10H12N2O7
MOLECULAR WEIGHT: 272.21148
SMILES: CC(=O)NC1CON(C1=O)OC(=O)C2CCC(=O)O2
Structure:
CAS RN: 107141-09-3
CAS Name: tetradecanoic acid [(2S)-2-[12-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-1-oxododecoxy]-3-hydroxypropyl] ester
OPENEYE Name: [(2S)-2-[12-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]dodecanoyloxy]-3-hydroxy-propyl] tetradecanoate
IUPAC Name: [(2S)-2-[12-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]dodecanoyloxy]-3-hydroxypropyl] tetradecanoate
SYSTEMATIC NAME: [(2S)-2-[12-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]dodecanoyloxy]-3-oxidanyl-propyl] tetradecanoate
MOLECULAR FORMULA: C41H68N2O7S
MOLECULAR WEIGHT: 733.05282
SMILES: CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCNS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C
Structure:
CAS RN: 107088-82-4
CAS Name: 10-[3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl]-2-nitro-9-acridinone
OPENEYE Name: 10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-nitro-acridin-9-one
IUPAC Name: 10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-nitroacridin-9-one
SYSTEMATIC NAME: 10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-nitro-acridin-9-one
MOLECULAR FORMULA: C22H26N4O4
MOLECULAR WEIGHT: 410.46624
SMILES: C1CN(CCN1CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C42)CCO
Structure:
CAS RN: 107071-66-9
CAS Name: 1-[4-(2,2-diphenylethenyl)-1-piperidinyl]-9-(3-pyridinyl)-1-nonanone
OPENEYE Name: 1-[4-(2,2-diphenylvinyl)-1-piperidyl]-9-(3-pyridyl)nonan-1-one
IUPAC Name: 1-[4-(2,2-diphenylethenyl)piperidin-1-yl]-9-pyridin-3-ylnonan-1-one
SYSTEMATIC NAME: 1-[4-(2,2-diphenylethenyl)piperidin-1-yl]-9-pyridin-3-yl-nonan-1-one
MOLECULAR FORMULA: C33H40N2O
MOLECULAR WEIGHT: 480.6835
SMILES: C1CN(CCC1C=C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCCCCCCCC4=CN=CC=C4
Structure:
CAS RN: 107035-06-3
CAS Name: 4-(2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl)aniline
OPENEYE Name: 4-(2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl)aniline
IUPAC Name: 4-(2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl)aniline
SYSTEMATIC NAME: 4-(2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-5-yl)aniline
MOLECULAR FORMULA: C18H20N2
MOLECULAR WEIGHT: 264.3648
SMILES: C1CC2C(C3=CC=CC=C3C2NC1)C4=CC=C(C=C4)N
Structure:
CAS RN: 107035-04-1
CAS Name: 1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
OPENEYE Name: 1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
IUPAC Name: 1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
SYSTEMATIC NAME: 1-methyl-5-phenyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
MOLECULAR FORMULA: C19H21N
MOLECULAR WEIGHT: 263.37674
SMILES: CN1CCCC2C1C3=CC=CC=C3C2C4=CC=CC=C4
Structure:
CAS RN: 121730-59-4
CAS Name: [(2R,3S,5R)-5-(4a-amino-1-oxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-3-hydroxy-2-oxolanyl]methyl dihydrogen phosphate
OPENEYE Name: [(2R,3S,5R)-5-(4a-amino-1-oxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
IUPAC Name: [(2R,3S,5R)-5-(4a-amino-1-oxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,5R)-5-(4a-azanyl-1-oxidanylidene-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C12H20N3O7P
MOLECULAR WEIGHT: 349.276861
SMILES: C1CC2(C=CN(C(=O)N2C1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N
Structure:
CAS RN: 107010-27-5
CAS Name: 2,2-diphenylpropanoic acid (6-methyl-6-azabicyclo[3.2.1]octan-3-yl) ester
OPENEYE Name: (6-methyl-6-azabicyclo[3.2.1]octan-3-yl) 2,2-diphenylpropanoate
IUPAC Name: (6-methyl-6-azabicyclo[3.2.1]octan-3-yl) 2,2-diphenylpropanoate
SYSTEMATIC NAME: (6-methyl-6-azabicyclo[3.2.1]octan-3-yl) 2,2-diphenylpropanoate
MOLECULAR FORMULA: C23H27NO2
MOLECULAR WEIGHT: 349.46598
SMILES: CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CC4CC(C3)N(C4)C
Structure:
CAS RN: 106988-43-6
CAS Name: 9-amino-4-acridinecarboxamide
OPENEYE Name: 9-aminoacridine-4-carboxamide
IUPAC Name: 9-aminoacridine-4-carboxamide
SYSTEMATIC NAME: 9-azanylacridine-4-carboxamide
MOLECULAR FORMULA: C14H11N3O
MOLECULAR WEIGHT: 237.25664
SMILES: C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)N)N
Structure:
CAS RN: 106984-15-0
CAS Name: (2R)-3-mercapto-2-(oxaloamino)propanoic acid
OPENEYE Name: (2R)-2-(oxaloamino)-3-sulfanyl-propanoic acid
IUPAC Name: (2R)-2-(oxaloamino)-3-sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-(carboxycarbonylamino)-3-sulfanyl-propanoic acid
MOLECULAR FORMULA: C5H7NO5S
MOLECULAR WEIGHT: 193.17778
SMILES: C([C@@H](C(=O)O)NC(=O)C(=O)O)S
Structure:
CAS RN: 106982-77-8
CAS Name: (2S)-1-[9H-fluoren-9-ylmethoxy(oxo)methyl]-5-oxo-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-oxo-pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-oxopyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-5-oxidanylidene-pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C20H17NO5
MOLECULAR WEIGHT: 351.35268
SMILES: C1CC(=O)N([C@@H]1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
Structure:
CAS RN: 106976-61-8
CAS Name: 1-[4-[2-bromoethyl(methyl)amino]but-2-ynyl]-2-pyrrolidinone
OPENEYE Name: 1-[4-[2-bromoethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one
IUPAC Name: 1-[4-[2-bromoethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one
SYSTEMATIC NAME: 1-[4-[2-bromoethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one
MOLECULAR FORMULA: C11H17BrN2O
MOLECULAR WEIGHT: 273.16948
SMILES: CN(CCBr)CC#CCN1CCCC1=O
Structure:
CAS RN: 121715-56-8
CAS Name: 4-amino-3-(5-methoxy-2-benzofuranyl)butanoic acid
OPENEYE Name: 4-amino-3-(5-methoxybenzofuran-2-yl)butanoic acid
IUPAC Name: 4-amino-3-(5-methoxy-1-benzofuran-2-yl)butanoic acid
SYSTEMATIC NAME: 4-azanyl-3-(5-methoxy-1-benzofuran-2-yl)butanoic acid
MOLECULAR FORMULA: C13H15NO4
MOLECULAR WEIGHT: 249.2625
SMILES: COC1=CC2=C(C=C1)OC(=C2)C(CC(=O)O)CN
Structure:
CAS RN: 106947-24-4
CAS Name: (2R)-2-amino-3-[2-(2-amino-6-oxo-3H-purin-7-yl)ethylthio]propanoic acid
OPENEYE Name: (2R)-2-amino-3-[2-(2-amino-6-oxo-3H-purin-7-yl)ethylsulfanyl]propanoic acid
IUPAC Name: (2R)-2-amino-3-[2-(2-amino-6-oxo-3H-purin-7-yl)ethylsulfanyl]propanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-[2-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)ethylsulfanyl]propanoic acid
MOLECULAR FORMULA: C10H14N6O3S
MOLECULAR WEIGHT: 298.32156
SMILES: C1=NC2=C(N1CCSC[C@@H](C(=O)O)N)C(=O)N=C(N2)N
Structure:
CAS RN: 106941-20-2
CAS Name: 2-[(4-amino-3-iodophenyl)methyl]guanidine
OPENEYE Name: 2-[(4-amino-3-iodo-phenyl)methyl]guanidine
IUPAC Name: 2-[(4-amino-3-iodophenyl)methyl]guanidine
SYSTEMATIC NAME: 2-[(4-azanyl-3-iodanyl-phenyl)methyl]guanidine
MOLECULAR FORMULA: C8H11IN4
MOLECULAR WEIGHT: 290.10421
SMILES: C1=CC(=C(C=C1CN=C(N)N)I)N
Structure:
CAS RN: 121714-71-4
CAS Name: 1-[2-[(3-chlorophenyl)methoxy]phenyl]-2-hydroxyethanone
OPENEYE Name: 1-[2-[(3-chlorophenyl)methoxy]phenyl]-2-hydroxy-ethanone
IUPAC Name: 1-[2-[(3-chlorophenyl)methoxy]phenyl]-2-hydroxyethanone
SYSTEMATIC NAME: 1-[2-[(3-chlorophenyl)methoxy]phenyl]-2-oxidanyl-ethanone
MOLECULAR FORMULA: C15H13ClO3
MOLECULAR WEIGHT: 276.71492
SMILES: C1=CC=C(C(=C1)C(=O)CO)OCC2=CC(=CC=C2)Cl
Structure:
CAS RN: 106926-14-1
CAS Name: 9-oxo-9-(1-phenylethylamino)nonanoic acid
OPENEYE Name: 9-oxo-9-(1-phenylethylamino)nonanoic acid
IUPAC Name: 9-oxo-9-(1-phenylethylamino)nonanoic acid
SYSTEMATIC NAME: 9-oxidanylidene-9-(1-phenylethylamino)nonanoic acid
MOLECULAR FORMULA: C17H25NO3
MOLECULAR WEIGHT: 291.3853
SMILES: CC(C1=CC=CC=C1)NC(=O)CCCCCCCC(=O)O
Structure:
CAS RN: 121699-10-3
CAS Name: sulfuric acid 2-[(8S,9S,10S,11S,13S,14S,17R)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl ester
OPENEYE Name: 2-[(8S,9S,10S,11S,13S,14S,17R)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl hydrogen sulfate
IUPAC Name: 2-[(8S,9S,10S,11S,13S,14S,17R)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl hydrogen sulfate
SYSTEMATIC NAME: 2-[(8S,9S,10S,11S,13S,14S,17R)-13-methanoyl-10-methyl-11-oxidanyl-3-oxidanylidene-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl hydrogen sulfate
MOLECULAR FORMULA: C21H32O7S
MOLECULAR WEIGHT: 428.53958
SMILES: C[C@]12CCC(=O)CC1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4CCOS(=O)(=O)O)C=O)O
Structure:
CAS RN: 121697-38-9
CAS Name: 2-[6-[[4-[(2-bromo-1-oxoethyl)amino]phenyl]methyl]-4,8,11-tris(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
OPENEYE Name: 2-[6-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-4,8,11-tris(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
IUPAC Name: 2-[6-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-4,8,11-tris(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
SYSTEMATIC NAME: 2-[6-[[4-(2-bromanylethanoylamino)phenyl]methyl]-4,8,11-tris(2-hydroxy-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanoic acid
MOLECULAR FORMULA: C27H40BrN5O9
MOLECULAR WEIGHT: 658.5386
SMILES: C1CN(CCN(CC(CN(CCN(C1)CC(=O)O)CC(=O)O)CC2=CC=C(C=C2)NC(=O)CBr)CC(=O)O)CC(=O)O
Structure:
CAS RN: 121695-04-3
CAS Name: N-[1-[1-(2-amino-2-oxoethyl)-5-tetrazolyl]-3-methylbutyl]-2-pyrrolidinecarboxamide
OPENEYE Name: N-[1-[1-(2-amino-2-oxo-ethyl)tetrazol-5-yl]-3-methyl-butyl]pyrrolidine-2-carboxamide
IUPAC Name: N-[1-[1-(2-amino-2-oxoethyl)tetrazol-5-yl]-3-methylbutyl]pyrrolidine-2-carboxamide
SYSTEMATIC NAME: N-[1-[1-(2-azanyl-2-oxidanylidene-ethyl)-1,2,3,4-tetrazol-5-yl]-3-methyl-butyl]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C13H23N7O2
MOLECULAR WEIGHT: 309.36742
SMILES: CC(C)CC(C1=NN=NN1CC(=O)N)NC(=O)C2CCCN2
Structure:
CAS RN: 106909-04-0
CAS Name: 3-hydroxybutanoic acid [8-[2-(4-hydroxy-6-oxo-2-oxanyl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester
OPENEYE Name: [8-[2-(4-hydroxy-6-oxo-tetrahydropyran-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3-hydroxybutanoate
IUPAC Name: [8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3-hydroxybutanoate
SYSTEMATIC NAME: [3,7-dimethyl-8-[2-(4-oxidanyl-6-oxidanylidene-oxan-2-yl)ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3-oxidanylbutanoate
MOLECULAR FORMULA: C23H34O6
MOLECULAR WEIGHT: 406.51246
SMILES: CC1CC(C2C(C(C=CC2=C1)C)CCC3CC(CC(=O)O3)O)OC(=O)CC(C)O
Structure:
CAS RN: 106891-93-4
CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(1-pyrrolyl)-3-quinolinecarboxylic acid
OPENEYE Name: 1-cyclopropyl-6-fluoro-4-oxo-7-pyrrol-1-yl-quinoline-3-carboxylic acid
IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-pyrrol-1-ylquinoline-3-carboxylic acid
SYSTEMATIC NAME: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-pyrrol-1-yl-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C17H13FN2O3
MOLECULAR WEIGHT: 312.295123
SMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4C=CC=C4)F)C(=O)O
Structure:
CAS RN: 121686-42-8
CAS Name: (2S,3S,4S,5R,6R)-6-[[(6aR,6bS,8R,8aR,9S,10S,12aR,14bR)-8,9,10-trihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6R)-6-[[(6aR,6bS,8R,8aR,9S,10S,12aR,14bR)-8,9,10-trihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6R)-6-[[(6aR,6bS,8R,8aR,9S,10S,12aR,14bR)-8,9,10-trihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-[[(6aR,6bS,8R,8aR,9S,10S,12aR,14bR)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8,9,10-tris(oxidanyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C36H58O12
MOLECULAR WEIGHT: 682.83852
SMILES: C[C@]12CCC(C(C1CC[C@@]3(C2CC=C4[C@]3(C[C@H]([C@@]5([C@@H]4CC([C@@H]([C@H]5O)O)(C)C)CO)O)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O
Structure:
CAS RN: 121625-72-7
CAS Name: 2-[2,6,6-trimethyl-1-(2-methylpropyl)-4-oxo-5,7-dihydroindol-3-yl]acetic acid
OPENEYE Name: 2-(1-isobutyl-2,6,6-trimethyl-4-oxo-5,7-dihydroindol-3-yl)acetic acid
IUPAC Name: 2-[2,6,6-trimethyl-1-(2-methylpropyl)-4-oxo-5,7-dihydroindol-3-yl]acetic acid
SYSTEMATIC NAME: 2-[2,6,6-trimethyl-1-(2-methylpropyl)-4-oxidanylidene-5,7-dihydroindol-3-yl]ethanoic acid
MOLECULAR FORMULA: C17H25NO3
MOLECULAR WEIGHT: 291.3853
SMILES: CC1=C(C2=C(N1CC(C)C)CC(CC2=O)(C)C)CC(=O)O
Structure:
CAS RN: 121625-71-6
CAS Name: 2-(1-butyl-2,6,6-trimethyl-4-oxo-5,7-dihydroindol-3-yl)acetic acid
OPENEYE Name: 2-(1-butyl-2,6,6-trimethyl-4-oxo-5,7-dihydroindol-3-yl)acetic acid
IUPAC Name: 2-(1-butyl-2,6,6-trimethyl-4-oxo-5,7-dihydroindol-3-yl)acetic acid
SYSTEMATIC NAME: 2-(1-butyl-2,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-3-yl)ethanoic acid
MOLECULAR FORMULA: C17H25NO3
MOLECULAR WEIGHT: 291.3853
SMILES: CCCCN1C(=C(C2=C1CC(CC2=O)(C)C)CC(=O)O)C
Structure:
CAS RN: 121613-16-9
CAS Name: N-[5-[[[2-[4-(9-acridinylamino)anilino]-2-oxoethyl]amino]-oxomethyl]-1-methyl-3-pyrrolyl]-4-amino-1-methyl-2-pyrrolecarboxamide
OPENEYE Name: N-[5-[[2-[4-(acridin-9-ylamino)anilino]-2-oxo-ethyl]carbamoyl]-1-methyl-pyrrol-3-yl]-4-amino-1-methyl-pyrrole-2-carboxamide
IUPAC Name: N-[5-[[2-[4-(acridin-9-ylamino)anilino]-2-oxoethyl]carbamoyl]-1-methylpyrrol-3-yl]-4-amino-1-methylpyrrole-2-carboxamide
SYSTEMATIC NAME: N-[5-[[2-[[4-(acridin-9-ylamino)phenyl]amino]-2-oxidanylidene-ethyl]carbamoyl]-1-methyl-pyrrol-3-yl]-4-azanyl-1-methyl-pyrrole-2-carboxamide
MOLECULAR FORMULA: C33H30N8O3
MOLECULAR WEIGHT: 586.6431
SMILES: CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCC(=O)NC3=CC=C(C=C3)NC4=C5C=CC=CC5=NC6=CC=CC=C64)C)N
Structure:
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