CAS RN: 928708-60-5
CAS Name: 1-(3-pyridinylmethyl)-3-indolecarboxaldehyde
OPENEYE Name: 1-(3-pyridylmethyl)indole-3-carbaldehyde
IUPAC Name: 1-(pyridin-3-ylmethyl)indole-3-carbaldehyde
SYSTEMATIC NAME: 1-(pyridin-3-ylmethyl)indole-3-carbaldehyde
MOLECULAR FORMULA: C15H12N2O
MOLECULAR WEIGHT: 236.26858
SMILES: C1=CC=C2C(=C1)C(=CN2CC3=CN=CC=C3)C=O
Structure:
CAS RN: 170235-19-5
CAS Name: 6-bromo-5-hydroxy-2-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 6-bromo-5-hydroxy-pyridine-2-carboxylate
IUPAC Name: methyl 6-bromo-5-hydroxypyridine-2-carboxylate
SYSTEMATIC NAME: methyl 6-bromanyl-5-oxidanyl-pyridine-2-carboxylate
MOLECULAR FORMULA: C7H6BrNO3
MOLECULAR WEIGHT: 232.03144
SMILES: COC(=O)C1=NC(=C(C=C1)O)Br
Structure:
CAS RN: 166591-85-1
CAS Name: 2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
OPENEYE Name: 2-tert-butoxycarbonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
SYSTEMATIC NAME: 2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
MOLECULAR FORMULA: C15H19NO4
MOLECULAR WEIGHT: 277.31566
SMILES: CC(C)(C)OC(=O)N1CCC2=CC=CC=C2C1C(=O)O
Structure:
CAS RN: 94349-29-8
CAS Name: N-[9,10-dioxo-5-[(5,8,14-trioxo-13H-anthra[1,2-b]quinolin-10-yl)amino]-1-anthracenyl]benzamide
OPENEYE Name: N-[9,10-dioxo-5-[(5,8,14-trioxo-13H-anthra[1,2-b]quinolin-10-yl)amino]-1-anthryl]benzamide
IUPAC Name: N-[9,10-dioxo-5-[(5,8,14-trioxo-13H-anthra[1,2-b]quinolin-10-yl)amino]anthracen-1-yl]benzamide
SYSTEMATIC NAME: N-[9,10-bis(oxidanylidene)-5-[[5,8,14-tris(oxidanylidene)-13H-anthra[1,2-b]quinolin-10-yl]amino]anthracen-1-yl]benzamide
MOLECULAR FORMULA: C42H23N3O6
MOLECULAR WEIGHT: 665.64852
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC5=CC6=C(C=C5)NC7=C(C6=O)C=CC8=C7C(=O)C9=CC=CC=C9C8=O
Structure:
CAS RN: 167412-23-9
CAS Name: 1-amino-3-(3,5-difluorophenyl)urea
OPENEYE Name: 1-amino-3-(3,5-difluorophenyl)urea
IUPAC Name: 1-amino-3-(3,5-difluorophenyl)urea
SYSTEMATIC NAME: 1-azanyl-3-[3,5-bis(fluoranyl)phenyl]urea
MOLECULAR FORMULA: C7H7F2N3O
MOLECULAR WEIGHT: 187.146786
SMILES: C1=C(C=C(C=C1F)F)NC(=O)NN
Structure:
CAS RN: 152626-78-3
CAS Name: 5-bromo-6-methoxy-1H-indazole
OPENEYE Name: 5-bromo-6-methoxy-1H-indazole
IUPAC Name: 5-bromo-6-methoxy-1H-indazole
SYSTEMATIC NAME: 5-bromanyl-6-methoxy-1H-indazole
MOLECULAR FORMULA: C8H7BrN2O
MOLECULAR WEIGHT: 227.05798
SMILES: COC1=C(C=C2C=NNC2=C1)Br
Structure:
CAS RN: 154486-27-8
CAS Name: 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetic acid 1-butoxypropan-2-yl ester
OPENEYE Name: (2-butoxy-1-methyl-ethyl) 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridyl)oxy]acetate
IUPAC Name: 1-butoxypropan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate
SYSTEMATIC NAME: 1-butoxypropan-2-yl 2-[4-azanyl-3,5-bis(chloranyl)-6-fluoranyl-pyridin-2-yl]oxyethanoate
MOLECULAR FORMULA: C14H19Cl2FN2O4
MOLECULAR WEIGHT: 369.216063
SMILES: CCCCOCC(C)OC(=O)COC1=NC(=C(C(=C1Cl)N)Cl)F
Structure:
CAS RN: 940-90-9
CAS Name: benzoic acid; N-ethylethanamine
OPENEYE Name: benzoic acid; N-ethylethanamine
IUPAC Name: benzoic acid; N-ethylethanamine
SYSTEMATIC NAME: benzoic acid; N-ethylethanamine
MOLECULAR FORMULA: C11H17NO2
MOLECULAR WEIGHT: 195.25818
SMILES: CCNCC.C1=CC=C(C=C1)C(=O)O
Structure:
CAS RN: 93778-57-5
CAS Name: 9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-2-oxolanyl]-3H-purin-6-one
OPENEYE Name: 9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-hydroxy-tetrahydrofuran-2-yl]-3H-purin-6-one
IUPAC Name: 9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-3H-purin-6-one
SYSTEMATIC NAME: 9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one
MOLECULAR FORMULA: C31H30N4O6
MOLECULAR WEIGHT: 554.5931
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=NC6=C5NC=NC6=O)O
Structure:
CAS RN: 76752-82-4
CAS Name: N,N-diethylethanamine; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonamide
OPENEYE Name: N,N-diethylethanamine; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
IUPAC Name: N,N-diethylethanamine; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
SYSTEMATIC NAME: N,N-diethylethanamine; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octane-1-sulfonamide
MOLECULAR FORMULA: C14H17F17N2O2S
MOLECULAR WEIGHT: 600.334834
SMILES: CCN(CC)CC.C(C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Structure:
CAS RN: 166883-00-7
CAS Name: (E)-3-(2,4-difluorophenyl)-2-propenoic acid methyl ester
OPENEYE Name: methyl (E)-3-(2,4-difluorophenyl)prop-2-enoate
IUPAC Name: methyl (E)-3-(2,4-difluorophenyl)prop-2-enoate
SYSTEMATIC NAME: methyl (E)-3-[2,4-bis(fluoranyl)phenyl]prop-2-enoate
MOLECULAR FORMULA: C10H8F2O2
MOLECULAR WEIGHT: 198.166126
SMILES: COC(=O)/C=C/C1=C(C=C(C=C1)F)F
Structure:
CAS RN: 17288-50-5
CAS Name: 5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxaldehyde
OPENEYE Name: 5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde
IUPAC Name: 5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde
SYSTEMATIC NAME: 5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde
MOLECULAR FORMULA: C9H8N2O2
MOLECULAR WEIGHT: 176.17202
SMILES: COC1=NC2=C(C=C1)NC(=C2)C=O
Structure:
CAS RN: 177496-79-6
CAS Name: 6-bromo-2H-1-benzopyran-3-carboxylic acid methyl ester
OPENEYE Name: methyl 6-bromo-2H-chromene-3-carboxylate
IUPAC Name: methyl 6-bromo-2H-chromene-3-carboxylate
SYSTEMATIC NAME: methyl 6-bromanyl-2H-chromene-3-carboxylate
MOLECULAR FORMULA: C11H9BrO3
MOLECULAR WEIGHT: 269.09136
SMILES: COC(=O)C1=CC2=C(C=CC(=C2)Br)OC1
Structure:
CAS RN: 454-73-9
CAS Name: 1-fluoro-3-nitro-5-(trifluoromethyl)benzene
OPENEYE Name: 1-fluoro-3-nitro-5-(trifluoromethyl)benzene
IUPAC Name: 1-fluoro-3-nitro-5-(trifluoromethyl)benzene
SYSTEMATIC NAME: 1-fluoranyl-3-nitro-5-(trifluoromethyl)benzene
MOLECULAR FORMULA: C7H3F4NO2
MOLECULAR WEIGHT: 209.097833
SMILES: C1=C(C=C(C=C1[N+](=O)[O-])F)C(F)(F)F
Structure:
CAS RN: 14108-13-5
CAS Name: thiazolo[2,3-a]isoquinolin-4-ium perchlorate
OPENEYE Name: thiazolo[2,3-a]isoquinolin-4-ium perchlorate
IUPAC Name: [1,3]thiazolo[2,3-a]isoquinolin-4-ium perchlorate
SYSTEMATIC NAME: [1,3]thiazolo[2,3-a]isoquinolin-4-ium perchlorate
MOLECULAR FORMULA: C11H8ClNO4S
MOLECULAR WEIGHT: 285.70352
SMILES: C1=CC=C2C(=C1)C=C[N+]3=C2SC=C3.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 6323-86-0
CAS Name: 1-(2-hydroxyphenyl)-2-(1-pyridin-1-iumyl)ethanone iodide
OPENEYE Name: 1-(2-hydroxyphenyl)-2-pyridin-1-ium-1-yl-ethanone iodide
IUPAC Name: 1-(2-hydroxyphenyl)-2-pyridin-1-ium-1-ylethanone iodide
SYSTEMATIC NAME: 1-(2-hydroxyphenyl)-2-pyridin-1-ium-1-yl-ethanone iodide
MOLECULAR FORMULA: C13H12INO2
MOLECULAR WEIGHT: 341.14435
SMILES: C1=CC=[N+](C=C1)CC(=O)C2=CC=CC=C2O.[I-]
Structure:
CAS RN: 553-71-9
CAS Name: nickel(2+) dibenzoate
OPENEYE Name: nickelous dibenzoate
IUPAC Name: nickel(2+) dibenzoate
SYSTEMATIC NAME: nickel(2+) dibenzoate
MOLECULAR FORMULA: C14H10NiO4
MOLECULAR WEIGHT: 300.9202
SMILES: C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Ni+2]
Structure:
CAS RN: 162971-77-9
CAS Name: 2-hydroxy-3-(2-methylprop-2-enyl)benzaldehyde
OPENEYE Name: 2-hydroxy-3-(2-methylallyl)benzaldehyde
IUPAC Name: 2-hydroxy-3-(2-methylprop-2-enyl)benzaldehyde
SYSTEMATIC NAME: 3-(2-methylprop-2-enyl)-2-oxidanyl-benzaldehyde
MOLECULAR FORMULA: C11H12O2
MOLECULAR WEIGHT: 176.21178
SMILES: CC(=C)CC1=CC=CC(=C1O)C=O
Structure:
CAS RN: 83846-63-3
CAS Name: (2E)-2-[chloro(phenyl)methylidene]butanal
OPENEYE Name: (2E)-2-[chloro(phenyl)methylene]butanal
IUPAC Name: (2E)-2-[chloro(phenyl)methylidene]butanal
SYSTEMATIC NAME: (2E)-2-[chloranyl(phenyl)methylidene]butanal
MOLECULAR FORMULA: C11H11ClO
MOLECULAR WEIGHT: 194.65744
SMILES: CC/C(=C(/C1=CC=CC=C1)\Cl)/C=O
Structure:
CAS RN: 14926-08-0
CAS Name: magnesium 4-aminobenzoate
OPENEYE Name: magnesium 4-aminobenzoate
IUPAC Name: magnesium 4-aminobenzoate
SYSTEMATIC NAME: magnesium 4-azanylbenzoate
MOLECULAR FORMULA: C14H12MgN2O4
MOLECULAR WEIGHT: 296.56108
SMILES: C1=CC(=CC=C1C(=O)[O-])N.C1=CC(=CC=C1C(=O)[O-])N.[Mg+2]
Structure:
CAS RN: 88349-88-6
CAS Name: 2-[(5-chloro-8-quinolinyl)oxy]acetic acid
OPENEYE Name: 2-[(5-chloro-8-quinolyl)oxy]acetic acid
IUPAC Name: 2-(5-chloroquinolin-8-yl)oxyacetic acid
SYSTEMATIC NAME: 2-(5-chloranylquinolin-8-yl)oxyethanoic acid
MOLECULAR FORMULA: C11H8ClNO3
MOLECULAR WEIGHT: 237.63912
SMILES: C1=CC2=C(C=CC(=C2N=C1)OCC(=O)O)Cl
Structure:
CAS RN: 64320-89-4
CAS Name: 4-(hydroxymethyl)-2-pyrrolidinone
OPENEYE Name: 4-(hydroxymethyl)pyrrolidin-2-one
IUPAC Name: 4-(hydroxymethyl)pyrrolidin-2-one
SYSTEMATIC NAME: 4-(hydroxymethyl)pyrrolidin-2-one
MOLECULAR FORMULA: C5H9NO2
MOLECULAR WEIGHT: 115.13046
SMILES: C1C(CNC1=O)CO
Structure:
CAS RN: 3601-67-0
CAS Name: 3,6-dimethyl-3-hept-6-en-4-ynol
OPENEYE Name: 3,6-dimethylhept-6-en-4-yn-3-ol
IUPAC Name: 3,6-dimethylhept-6-en-4-yn-3-ol
SYSTEMATIC NAME: 3,6-dimethylhept-6-en-4-yn-3-ol
MOLECULAR FORMULA: C9H14O
MOLECULAR WEIGHT: 138.20686
SMILES: CCC(C)(C#CC(=C)C)O
Structure:
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