CAS RN: 105706-76-1
CAS Name: 2-formyl-1-piperidinecarboxylic acid (phenylmethyl) ester
OPENEYE Name: benzyl 2-formylpiperidine-1-carboxylate
IUPAC Name: benzyl 2-formylpiperidine-1-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 2-methanoylpiperidine-1-carboxylate
MOLECULAR FORMULA: C14H17NO3
MOLECULAR WEIGHT: 247.28968
SMILES: C1CCN(C(C1)C=O)C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 136483-17-5
CAS Name: 2-(trifluoromethyl)-3-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 2-(trifluoromethyl)pyridine-3-carboxylate
IUPAC Name: methyl 2-(trifluoromethyl)pyridine-3-carboxylate
SYSTEMATIC NAME: methyl 2-(trifluoromethyl)pyridine-3-carboxylate
MOLECULAR FORMULA: C8H6F3NO2
MOLECULAR WEIGHT: 205.13395
SMILES: COC(=O)C1=C(N=CC=C1)C(F)(F)F
Structure:
CAS RN: 252861-41-9
CAS Name: 8-bromo-5-nitroisoquinoline
OPENEYE Name: 8-bromo-5-nitro-isoquinoline
IUPAC Name: 8-bromo-5-nitroisoquinoline
SYSTEMATIC NAME: 8-bromanyl-5-nitro-isoquinoline
MOLECULAR FORMULA: C9H5BrN2O2
MOLECULAR WEIGHT: 253.0522
SMILES: C1=CC(=C2C=NC=CC2=C1[N+](=O)[O-])Br
Structure:
CAS RN: 89180-61-0
CAS Name: 3-isoxazolecarboxaldehyde
OPENEYE Name: isoxazole-3-carbaldehyde
IUPAC Name: 1,2-oxazole-3-carbaldehyde
SYSTEMATIC NAME: 1,2-oxazole-3-carbaldehyde
MOLECULAR FORMULA: C4H3NO2
MOLECULAR WEIGHT: 97.07212
SMILES: C1=CON=C1C=O
Structure:
CAS RN: 28387-66-8
CAS Name: N-[(3-hydroxyphenyl)methyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(3-hydroxyphenyl)methyl]carbamate
IUPAC Name: tert-butyl N-[(3-hydroxyphenyl)methyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(3-hydroxyphenyl)methyl]carbamate
MOLECULAR FORMULA: C12H17NO3
MOLECULAR WEIGHT: 223.26828
SMILES: CC(C)(C)OC(=O)NCC1=CC(=CC=C1)O
Structure:
CAS RN: 760919-39-9
CAS Name: 2,3-dihydro-1H-pyrrolo[2,3-c]pyridine
OPENEYE Name: 2,3-dihydro-1H-pyrrolo[2,3-c]pyridine
IUPAC Name: 2,3-dihydro-1H-pyrrolo[2,3-c]pyridine
SYSTEMATIC NAME: 2,3-dihydro-1H-pyrrolo[2,3-c]pyridine
MOLECULAR FORMULA: C7H8N2
MOLECULAR WEIGHT: 120.15182
SMILES: C1CNC2=C1C=CN=C2
Structure:
CAS RN: 71461-97-7
CAS Name: disodium 9,10-dioxoanthracene-1,2-disulfonate
OPENEYE Name: disodium 9,10-dioxoanthracene-1,2-disulfonate
IUPAC Name: disodium 9,10-dioxoanthracene-1,2-disulfonate
SYSTEMATIC NAME: disodium 9,10-bis(oxidanylidene)anthracene-1,2-disulfonate
MOLECULAR FORMULA: C14H6Na2O8S2
MOLECULAR WEIGHT: 412.30218
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 2968-32-3
CAS Name: 1,1,1-trifluoro-2-propanamine hydrochloride
OPENEYE Name: 1,1,1-trifluoropropan-2-amine hydrochloride
IUPAC Name: 1,1,1-trifluoropropan-2-amine hydrochloride
SYSTEMATIC NAME: 1,1,1-tris(fluoranyl)propan-2-amine hydrochloride
MOLECULAR FORMULA: C3H7ClF3N
MOLECULAR WEIGHT: 149.54259
SMILES: CC(C(F)(F)F)N.Cl
Structure:
CAS RN: 65144-30-1
CAS Name: 3'-hydroxy-6'-methoxy-1-spiro[isobenzofuran-3,9'-xanthene]one
OPENEYE Name: 3'-hydroxy-6'-methoxy-spiro[isobenzofuran-3,9'-xanthene]-1-one
IUPAC Name: 3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
SYSTEMATIC NAME: 3'-methoxy-6'-oxidanyl-spiro[2-benzofuran-3,9'-xanthene]-1-one
MOLECULAR FORMULA: C21H14O5
MOLECULAR WEIGHT: 346.33286
SMILES: COC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)O)C5=CC=CC=C5C(=O)O3
Structure:
CAS RN: 31181-54-1
CAS Name: 2-methyl-5-(trifluoromethyl)pyridine
OPENEYE Name: 2-methyl-5-(trifluoromethyl)pyridine
IUPAC Name: 2-methyl-5-(trifluoromethyl)pyridine
SYSTEMATIC NAME: 2-methyl-5-(trifluoromethyl)pyridine
MOLECULAR FORMULA: C7H6F3N
MOLECULAR WEIGHT: 161.12445
SMILES: CC1=NC=C(C=C1)C(F)(F)F
Structure:
CAS RN: 94231-05-7
CAS Name: ethyl(triphenyl)phosphonium phenoxide
OPENEYE Name: ethyl(triphenyl)phosphonium phenoxide
IUPAC Name: ethyl(triphenyl)phosphanium phenoxide
SYSTEMATIC NAME: ethyl(triphenyl)phosphanium phenoxide
MOLECULAR FORMULA: C26H25OP
MOLECULAR WEIGHT: 384.449861
SMILES: CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[O-]
Structure:
CAS RN: 94231-04-6
CAS Name: methyl(triphenyl)phosphonium phenoxide
OPENEYE Name: methyl(triphenyl)phosphonium phenoxide
IUPAC Name: methyl(triphenyl)phosphanium phenoxide
SYSTEMATIC NAME: methyl(triphenyl)phosphanium phenoxide
MOLECULAR FORMULA: C25H23OP
MOLECULAR WEIGHT: 370.423281
SMILES: C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[O-]
Structure:
CAS RN: 94231-07-9
CAS Name: triphenyl(propyl)phosphonium phenoxide
OPENEYE Name: triphenyl(propyl)phosphonium phenoxide
IUPAC Name: triphenyl(propyl)phosphanium phenoxide
SYSTEMATIC NAME: triphenyl(propyl)phosphanium phenoxide
MOLECULAR FORMULA: C27H27OP
MOLECULAR WEIGHT: 398.476441
SMILES: CCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[O-]
Structure:
CAS RN: 337965-61-4
CAS Name: 2-(6-fluoro-3-pyridinyl)acetonitrile
OPENEYE Name: 2-(6-fluoro-3-pyridyl)acetonitrile
IUPAC Name: 2-(6-fluoropyridin-3-yl)acetonitrile
SYSTEMATIC NAME: 2-(6-fluoranylpyridin-3-yl)ethanenitrile
MOLECULAR FORMULA: C7H5FN2
MOLECULAR WEIGHT: 136.126403
SMILES: C1=CC(=NC=C1CC#N)F
Structure:
CAS RN: 771555-21-6
CAS Name: 2-chloro-1H-quinolin-4-one
OPENEYE Name: 2-chloro-1H-quinolin-4-one
IUPAC Name: 2-chloro-1H-quinolin-4-one
SYSTEMATIC NAME: 2-chloranyl-1H-quinolin-4-one
MOLECULAR FORMULA: C9H6ClNO
MOLECULAR WEIGHT: 179.60304
SMILES: C1=CC=C2C(=C1)C(=O)C=C(N2)Cl
Structure:
CAS RN: 355841-11-1
CAS Name: 2-(butylamino)-1-[(9E)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]-4-fluorenyl]ethanol
OPENEYE Name: 2-(butylamino)-1-[(9E)-2,7-dichloro-9-[(4-chlorophenyl)methylene]fluoren-4-yl]ethanol
IUPAC Name: 2-(butylamino)-1-[(9E)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol
SYSTEMATIC NAME: 1-[(9E)-2,7-bis(chloranyl)-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]-2-(butylamino)ethanol
MOLECULAR FORMULA: C26H24Cl3NO
MOLECULAR WEIGHT: 472.83386
SMILES: CCCCNCC(C1=C2C3=C(C=C(C=C3)Cl)/C(=C\C4=CC=C(C=C4)Cl)/C2=CC(=C1)Cl)O
Structure:
CAS RN: 53976-65-1
CAS Name: 2,3-dichloro-1-hydroxypyridin-1-ium
OPENEYE Name: 2,3-dichloro-1-hydroxy-pyridin-1-ium
IUPAC Name: 2,3-dichloro-1-hydroxypyridin-1-ium
SYSTEMATIC NAME: 2,3-bis(chloranyl)-1-oxidanyl-pyridin-1-ium
MOLECULAR FORMULA: C5H4Cl2NO+
MOLECULAR WEIGHT: 164.99736
SMILES: C1=CC(=C([N+](=C1)O)Cl)Cl
Structure:
CAS RN: 117169-30-9
CAS Name: (1-fluorocyclohexyl)methanol
OPENEYE Name: (1-fluorocyclohexyl)methanol
IUPAC Name: (1-fluorocyclohexyl)methanol
SYSTEMATIC NAME: (1-fluoranylcyclohexyl)methanol
MOLECULAR FORMULA: C7H13FO
MOLECULAR WEIGHT: 132.175923
SMILES: C1CCC(CC1)(CO)F
Structure:
CAS RN: 315718-05-9
CAS Name: 3-(hydroxymethyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester
OPENEYE Name: benzyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
IUPAC Name: benzyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 3-(hydroxymethyl)pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C13H17NO3
MOLECULAR WEIGHT: 235.27898
SMILES: C1CN(CC1CO)C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 189130-85-6
CAS Name: 3-(chloromethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole
OPENEYE Name: 3-(chloromethyl)-5-isobutyl-1,2,4-oxadiazole
IUPAC Name: 3-(chloromethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole
SYSTEMATIC NAME: 3-(chloromethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole
MOLECULAR FORMULA: C7H11ClN2O
MOLECULAR WEIGHT: 174.62804
SMILES: CC(C)CC1=NC(=NO1)CCl
Structure:
CAS RN: 379-40-8
CAS Name: 1-[chloro(diphenyl)methyl]-2-fluorobenzene
OPENEYE Name: 1-[chloro(diphenyl)methyl]-2-fluoro-benzene
IUPAC Name: 1-[chloro(diphenyl)methyl]-2-fluorobenzene
SYSTEMATIC NAME: 1-[chloranyl(diphenyl)methyl]-2-fluoranyl-benzene
MOLECULAR FORMULA: C19H14ClF
MOLECULAR WEIGHT: 296.765863
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3F)Cl
Structure:
CAS RN: 379-54-4
CAS Name: 1-[chloro(diphenyl)methyl]-2-fluorobenzene
OPENEYE Name: 1-[chloro(diphenyl)methyl]-2-fluoro-benzene
IUPAC Name: 1-[chloro(diphenyl)methyl]-2-fluorobenzene
SYSTEMATIC NAME: 1-[chloranyl(diphenyl)methyl]-2-fluoranyl-benzene
MOLECULAR FORMULA: C19H14ClF
MOLECULAR WEIGHT: 296.765863
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3F)Cl
Structure:
CAS RN: 167556-64-1
CAS Name: tributyl-(6-methyl-3-pyridinyl)stannane
OPENEYE Name: tributyl-(6-methyl-3-pyridyl)stannane
IUPAC Name: tributyl-(6-methylpyridin-3-yl)stannane
SYSTEMATIC NAME: tributyl-(6-methylpyridin-3-yl)stannane
MOLECULAR FORMULA: C18H33NSn
MOLECULAR WEIGHT: 382.17132
SMILES: CCCC[Sn](CCCC)(CCCC)C1=CN=C(C=C1)C
Structure:
CAS RN: 944401-77-8
CAS Name: 4-fluoro-2-pyridinamine
OPENEYE Name: 4-fluoropyridin-2-amine
IUPAC Name: 4-fluoropyridin-2-amine
SYSTEMATIC NAME: 4-fluoranylpyridin-2-amine
MOLECULAR FORMULA: C5H5FN2
MOLECULAR WEIGHT: 112.105003
SMILES: C1=CN=C(C=C1F)N
Structure:
CAS RN: 193074-46-3
CAS Name: 6-chloro-4-methoxy-2-pyridinecarbonitrile
OPENEYE Name: 6-chloro-4-methoxy-pyridine-2-carbonitrile
IUPAC Name: 6-chloro-4-methoxypyridine-2-carbonitrile
SYSTEMATIC NAME: 6-chloranyl-4-methoxy-pyridine-2-carbonitrile
MOLECULAR FORMULA: C7H5ClN2O
MOLECULAR WEIGHT: 168.5804
SMILES: COC1=CC(=NC(=C1)C#N)Cl
Structure:
CAS RN: 332411-18-4
CAS Name: 4-(3-methyl-N-(3-methylphenyl)anilino)benzaldehyde
OPENEYE Name: 4-[3-methyl-N-(m-tolyl)anilino]benzaldehyde
IUPAC Name: 4-(3-methyl-N-(3-methylphenyl)anilino)benzaldehyde
SYSTEMATIC NAME: 4-[bis(3-methylphenyl)amino]benzaldehyde
MOLECULAR FORMULA: C21H19NO
MOLECULAR WEIGHT: 301.38166
SMILES: CC1=CC(=CC=C1)N(C2=CC=C(C=C2)C=O)C3=CC=CC(=C3)C
Structure:
CAS RN: 17070-07-4
CAS Name: calcium 2-oxopropanoate hydrate
OPENEYE Name: calcium 2-oxopropanoate hydrate
IUPAC Name: calcium 2-oxopropanoate hydrate
SYSTEMATIC NAME: calcium 2-oxidanylidenepropanoate hydrate
MOLECULAR FORMULA: C3H5CaO4+
MOLECULAR WEIGHT: 145.1474
SMILES: CC(=O)C(=O)[O-].O.[Ca+2]
Structure:
CAS RN: 802276-49-9
CAS Name: 2-amino-5-phenyl-4-thiazolecarboxylic acid
OPENEYE Name: 2-amino-5-phenyl-thiazole-4-carboxylic acid
IUPAC Name: 2-amino-5-phenyl-1,3-thiazole-4-carboxylic acid
SYSTEMATIC NAME: 2-azanyl-5-phenyl-1,3-thiazole-4-carboxylic acid
MOLECULAR FORMULA: C10H8N2O2S
MOLECULAR WEIGHT: 220.24772
SMILES: C1=CC=C(C=C1)C2=C(N=C(S2)N)C(=O)O
Structure:
CAS RN: 686298-05-5
CAS Name: 1-(1-ethyl-4-piperidinyl)piperazine
OPENEYE Name: 1-(1-ethyl-4-piperidyl)piperazine
IUPAC Name: 1-(1-ethylpiperidin-4-yl)piperazine
SYSTEMATIC NAME: 1-(1-ethylpiperidin-4-yl)piperazine
MOLECULAR FORMULA: C11H23N3
MOLECULAR WEIGHT: 197.32042
SMILES: CCN1CCC(CC1)N2CCNCC2
Structure:
CAS RN: 349535-07-5
CAS Name: 3-(3,5-dibromo-4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid
OPENEYE Name: 2-(tert-butoxycarbonylamino)-3-(3,5-dibromo-4-hydroxy-phenyl)propanoic acid
IUPAC Name: 3-(3,5-dibromo-4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SYSTEMATIC NAME: 3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
MOLECULAR FORMULA: C14H17Br2NO5
MOLECULAR WEIGHT: 439.09648
SMILES: CC(C)(C)OC(=O)NC(CC1=CC(=C(C(=C1)Br)O)Br)C(=O)O
Structure:
CAS RN: 107667-60-7
CAS Name: zinc 2-[(3-amino-1-oxopropyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
OPENEYE Name: zinc 2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
IUPAC Name: zinc 2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
SYSTEMATIC NAME: zinc 2-(3-azanylpropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
MOLECULAR FORMULA: C9H14N4O3Zn+2
MOLECULAR WEIGHT: 291.64146
SMILES: C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN.[Zn+2]
Structure:
CAS RN: 1457-06-3
CAS Name: 4-[bis(2-chloroethyl)amino]phenol hydrochloride
OPENEYE Name: 4-[bis(2-chloroethyl)amino]phenol hydrochloride
IUPAC Name: 4-[bis(2-chloroethyl)amino]phenol hydrochloride
SYSTEMATIC NAME: 4-[bis(2-chloroethyl)amino]phenol hydrochloride
MOLECULAR FORMULA: C10H14Cl3NO
MOLECULAR WEIGHT: 270.58326
SMILES: C1=CC(=CC=C1N(CCCl)CCCl)O.Cl
Structure:
CAS RN: 928324-05-4
CAS Name: 2-(2-amino-4-thiazolyl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide
OPENEYE Name: 2-(2-aminothiazol-4-yl)-N-[4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]ethyl]phenyl]acetamide
IUPAC Name: 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide
SYSTEMATIC NAME: 2-(2-azanyl-1,3-thiazol-4-yl)-N-[4-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]ethyl]phenyl]ethanamide
MOLECULAR FORMULA: C21H24N4O2S
MOLECULAR WEIGHT: 396.50586
SMILES: C1=CC=C(C=C1)C(CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O
Structure:
CAS RN: 163883-40-7
CAS Name: benzoic acid 2-hexyldecyl ester
OPENEYE Name: 2-hexyldecyl benzoate
IUPAC Name: 2-hexyldecyl benzoate
SYSTEMATIC NAME: 2-hexyldecyl benzoate
MOLECULAR FORMULA: C23H38O2
MOLECULAR WEIGHT: 346.54662
SMILES: CCCCCCCCC(CCCCCC)COC(=O)C1=CC=CC=C1
Structure:
CAS RN: 188038-97-3
CAS Name: benzoic acid 2-butyloctyl ester
OPENEYE Name: 2-butyloctyl benzoate
IUPAC Name: 2-butyloctyl benzoate
SYSTEMATIC NAME: 2-butyloctyl benzoate
MOLECULAR FORMULA: C19H30O2
MOLECULAR WEIGHT: 290.4403
SMILES: CCCCCCC(CCCC)COC(=O)C1=CC=CC=C1
Structure:
CAS RN: 720706-20-7
CAS Name: (4-amino-4-oxanyl)methanol
OPENEYE Name: (4-aminotetrahydropyran-4-yl)methanol
IUPAC Name: (4-aminooxan-4-yl)methanol
SYSTEMATIC NAME: (4-azanyloxan-4-yl)methanol
MOLECULAR FORMULA: C6H13NO2
MOLECULAR WEIGHT: 131.17292
SMILES: C1COCCC1(CO)N
Structure:
CAS RN: 285125-02-2
CAS Name: 4-isothiocyanato-3-(trifluoromethyl)benzonitrile
OPENEYE Name: 4-isothiocyanato-3-(trifluoromethyl)benzonitrile
IUPAC Name: 4-isothiocyanato-3-(trifluoromethyl)benzonitrile
SYSTEMATIC NAME: 4-isothiocyanato-3-(trifluoromethyl)benzenecarbonitrile
MOLECULAR FORMULA: C9H3F3N2S
MOLECULAR WEIGHT: 228.19373
SMILES: C1=CC(=C(C=C1C#N)C(F)(F)F)N=C=S
Structure:
CAS RN: 188901-98-6
CAS Name: 3-tert-butyl-2-methoxyphenol
OPENEYE Name: 3-tert-butyl-2-methoxy-phenol
IUPAC Name: 3-tert-butyl-2-methoxyphenol
SYSTEMATIC NAME: 3-tert-butyl-2-methoxy-phenol
MOLECULAR FORMULA: C11H16O2
MOLECULAR WEIGHT: 180.24354
SMILES: CC(C)(C)C1=C(C(=CC=C1)O)OC
Structure:
CAS RN: 91596-61-1
CAS Name: 1-(4-piperidinyl)-2-pyrrolidinone
OPENEYE Name: 1-(4-piperidyl)pyrrolidin-2-one
IUPAC Name: 1-piperidin-4-ylpyrrolidin-2-one
SYSTEMATIC NAME: 1-piperidin-4-ylpyrrolidin-2-one
MOLECULAR FORMULA: C9H16N2O
MOLECULAR WEIGHT: 168.23614
SMILES: C1CC(=O)N(C1)C2CCNCC2
Structure:
CAS RN: 60287-77-6
CAS Name: 2-[4-(trifluoromethyl)phenoxy]aniline
OPENEYE Name: 2-[4-(trifluoromethyl)phenoxy]aniline
IUPAC Name: 2-[4-(trifluoromethyl)phenoxy]aniline
SYSTEMATIC NAME: 2-[4-(trifluoromethyl)phenoxy]aniline
MOLECULAR FORMULA: C13H10F3NO
MOLECULAR WEIGHT: 253.21981
SMILES: C1=CC=C(C(=C1)N)OC2=CC=C(C=C2)C(F)(F)F
Structure:
No comments:
Post a Comment