CAS RN: 13096-22-5
CAS Name: 1-aziridinyl(3-pyridinyl)methanone
OPENEYE Name: aziridin-1-yl(3-pyridyl)methanone
IUPAC Name: aziridin-1-yl(pyridin-3-yl)methanone
SYSTEMATIC NAME: aziridin-1-yl(pyridin-3-yl)methanone
MOLECULAR FORMULA: C8H8N2O
MOLECULAR WEIGHT: 148.16192
SMILES: C1CN1C(=O)C2=CN=CC=C2
Structure:
CAS RN: 13096-21-4
CAS Name: 1-aziridinyl-[4-(2-chloroethylthio)-3-pyridinyl]methanone
OPENEYE Name: aziridin-1-yl-[4-(2-chloroethylsulfanyl)-3-pyridyl]methanone
IUPAC Name: aziridin-1-yl-[4-(2-chloroethylsulfanyl)pyridin-3-yl]methanone
SYSTEMATIC NAME: aziridin-1-yl-[4-(2-chloroethylsulfanyl)pyridin-3-yl]methanone
MOLECULAR FORMULA: C10H11ClN2OS
MOLECULAR WEIGHT: 242.72514
SMILES: C1CN1C(=O)C2=C(C=CN=C2)SCCCl
Structure:
CAS RN: 13096-19-0
CAS Name: 4-(2-bromoethylthio)-3-pyridinecarboxamide
OPENEYE Name: 4-(2-bromoethylsulfanyl)pyridine-3-carboxamide
IUPAC Name: 4-(2-bromoethylsulfanyl)pyridine-3-carboxamide
SYSTEMATIC NAME: 4-(2-bromoethylsulfanyl)pyridine-3-carboxamide
MOLECULAR FORMULA: C8H9BrN2OS
MOLECULAR WEIGHT: 261.13886
SMILES: C1=CN=CC(=C1SCCBr)C(=O)N
Structure:
CAS RN: 13096-17-8
CAS Name: 4-(2-chloroethylthio)-3-pyridinecarboxamide
OPENEYE Name: 4-(2-chloroethylsulfanyl)pyridine-3-carboxamide
IUPAC Name: 4-(2-chloroethylsulfanyl)pyridine-3-carboxamide
SYSTEMATIC NAME: 4-(2-chloroethylsulfanyl)pyridine-3-carboxamide
MOLECULAR FORMULA: C8H9ClN2OS
MOLECULAR WEIGHT: 216.68786
SMILES: C1=CN=CC(=C1SCCCl)C(=O)N
Structure:
CAS RN: 13096-16-7
CAS Name: 4-(2-chloroethylthio)-3-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 4-(2-chloroethylsulfanyl)pyridine-3-carboxylate
IUPAC Name: methyl 4-(2-chloroethylsulfanyl)pyridine-3-carboxylate
SYSTEMATIC NAME: methyl 4-(2-chloroethylsulfanyl)pyridine-3-carboxylate
MOLECULAR FORMULA: C9H10ClNO2S
MOLECULAR WEIGHT: 231.6992
SMILES: COC(=O)C1=C(C=CN=C1)SCCCl
Structure:
CAS RN: 13096-15-6
CAS Name: 4-(2-chloroethylthio)-3-pyridinecarboxylic acid
OPENEYE Name: 4-(2-chloroethylsulfanyl)pyridine-3-carboxylic acid
IUPAC Name: 4-(2-chloroethylsulfanyl)pyridine-3-carboxylic acid
SYSTEMATIC NAME: 4-(2-chloroethylsulfanyl)pyridine-3-carboxylic acid
MOLECULAR FORMULA: C8H8ClNO2S
MOLECULAR WEIGHT: 217.67262
SMILES: C1=CN=CC(=C1SCCCl)C(=O)O
Structure:
CAS RN: 13094-41-2
CAS Name: [3-carbamoyl-4-methyl-3-(1-naphthalenyl)pentyl]-trimethylammonium bromide
OPENEYE Name: [3-carbamoyl-4-methyl-3-(1-naphthyl)pentyl]-trimethyl-ammonium bromide
IUPAC Name: (3-carbamoyl-4-methyl-3-naphthalen-1-ylpentyl)-trimethylazanium bromide
SYSTEMATIC NAME: (3-aminocarbonyl-4-methyl-3-naphthalen-1-yl-pentyl)-trimethyl-azanium bromide
MOLECULAR FORMULA: C20H29BrN2O
MOLECULAR WEIGHT: 393.36106
SMILES: CC(C)C(CC[N+](C)(C)C)(C1=CC=CC2=CC=CC=C21)C(=O)N.[Br-]
Structure:
CAS RN: 13094-10-5
CAS Name: 4-[[2-(diethylamino)-1-oxoethyl]amino]-2-hydroxybenzoic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 4-[[2-(diethylamino)acetyl]amino]-2-hydroxy-benzoate hydrochloride
IUPAC Name: ethyl 4-[[2-(diethylamino)acetyl]amino]-2-hydroxybenzoate hydrochloride
SYSTEMATIC NAME: ethyl 4-[2-(diethylamino)ethanoylamino]-2-oxidanyl-benzoate hydrochloride
MOLECULAR FORMULA: C15H23ClN2O4
MOLECULAR WEIGHT: 330.80712
SMILES: CCN(CC)CC(=O)NC1=CC(=C(C=C1)C(=O)OCC)O.Cl
Structure:
CAS RN: 13087-45-1
CAS Name: 2-hydroxy-4-[[1-oxo-3-(1-piperidinyl)propyl]amino]benzoic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 2-hydroxy-4-[3-(1-piperidyl)propanoylamino]benzoate hydrochloride
IUPAC Name: ethyl 2-hydroxy-4-(3-piperidin-1-ylpropanoylamino)benzoate hydrochloride
SYSTEMATIC NAME: ethyl 2-oxidanyl-4-(3-piperidin-1-ylpropanoylamino)benzoate hydrochloride
MOLECULAR FORMULA: C17H25ClN2O4
MOLECULAR WEIGHT: 356.8444
SMILES: CCOC(=O)C1=C(C=C(C=C1)NC(=O)CCN2CCCCC2)O.Cl
Structure:
CAS RN: 13084-31-6
CAS Name: 2-(4-methylphenyl)-4,5-dihydrothiazole
OPENEYE Name: 2-(p-tolyl)-4,5-dihydrothiazole
IUPAC Name: 2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole
SYSTEMATIC NAME: 2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole
MOLECULAR FORMULA: C10H11NS
MOLECULAR WEIGHT: 177.26604
SMILES: CC1=CC=C(C=C1)C2=NCCS2
Structure:
CAS RN: 13084-29-2
CAS Name: 2-(4-chlorophenyl)-4,5-dihydrothiazole
OPENEYE Name: 2-(4-chlorophenyl)-4,5-dihydrothiazole
IUPAC Name: 2-(4-chlorophenyl)-4,5-dihydro-1,3-thiazole
SYSTEMATIC NAME: 2-(4-chlorophenyl)-4,5-dihydro-1,3-thiazole
MOLECULAR FORMULA: C9H8ClNS
MOLECULAR WEIGHT: 197.68452
SMILES: C1CSC(=N1)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 13083-49-3
CAS Name: 4-aminobenzoic acid [2-[[di(propan-2-yl)amino]methyl]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ester
OPENEYE Name: [3-[(diisopropylamino)methyl]-1,7,7-trimethyl-norbornan-2-yl] 4-aminobenzoate
IUPAC Name: [2-[[di(propan-2-yl)amino]methyl]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 4-aminobenzoate
SYSTEMATIC NAME: [2-[[di(propan-2-yl)amino]methyl]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 4-azanylbenzoate
MOLECULAR FORMULA: C24H38N2O2
MOLECULAR WEIGHT: 386.57072
SMILES: CC(C)N(CC1C2CCC(C1OC(=O)C3=CC=C(C=C3)N)(C2(C)C)C)C(C)C
Structure:
CAS RN: 13083-73-3
CAS Name: 4-aminobenzoic acid [2-[[di(propan-2-yl)amino]methyl]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ester
OPENEYE Name: [3-[(diisopropylamino)methyl]-1,7,7-trimethyl-norbornan-2-yl] 4-aminobenzoate
IUPAC Name: [2-[[di(propan-2-yl)amino]methyl]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 4-aminobenzoate
SYSTEMATIC NAME: [2-[[di(propan-2-yl)amino]methyl]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 4-azanylbenzoate
MOLECULAR FORMULA: C24H38N2O2
MOLECULAR WEIGHT: 386.57072
SMILES: CC(C)N(CC1C2CCC(C1OC(=O)C3=CC=C(C=C3)N)(C2(C)C)C)C(C)C
Structure:
CAS RN: 13083-72-2
CAS Name: 4-nitrobenzoic acid [2-[[di(propan-2-yl)amino]methyl]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ester
OPENEYE Name: [3-[(diisopropylamino)methyl]-1,7,7-trimethyl-norbornan-2-yl] 4-nitrobenzoate
IUPAC Name: [2-[[di(propan-2-yl)amino]methyl]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 4-nitrobenzoate
SYSTEMATIC NAME: [2-[[di(propan-2-yl)amino]methyl]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 4-nitrobenzoate
MOLECULAR FORMULA: C24H36N2O4
MOLECULAR WEIGHT: 416.55364
SMILES: CC(C)N(CC1C2CCC(C1OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])(C2(C)C)C)C(C)C
Structure:
CAS RN: 13083-70-0
CAS Name: 2,2-diphenylacetic acid [2-[(dimethylamino)methyl]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ester
OPENEYE Name: [3-[(dimethylamino)methyl]-1,7,7-trimethyl-norbornan-2-yl] 2,2-diphenylacetate
IUPAC Name: [2-[(dimethylamino)methyl]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 2,2-diphenylacetate
SYSTEMATIC NAME: [2-[(dimethylamino)methyl]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 2,2-diphenylethanoate
MOLECULAR FORMULA: C27H35NO2
MOLECULAR WEIGHT: 405.5723
SMILES: CC1(C2CCC1(C(C2CN(C)C)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C)C
Structure:
CAS RN: 13082-97-8
CAS Name: 2-[4-(2-cyclohexyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]-N,N-diethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
OPENEYE Name: citric acid; 2-[4-(2-cyclohexyltetralin-1-yl)phenoxy]-N,N-diethyl-ethanamine
IUPAC Name: 2-[4-(2-cyclohexyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]-N,N-diethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
SYSTEMATIC NAME: 2-[4-(2-cyclohexyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]-N,N-diethyl-ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C34H47NO8
MOLECULAR WEIGHT: 597.73888
SMILES: CCN(CC)CCOC1=CC=C(C=C1)C2C(CCC3=CC=CC=C23)C4CCCCC4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Structure:
CAS RN: 13081-50-0
CAS Name: (8S,9S,13S,14S,17S)-17-ethynyl-13-methyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9S,13S,14S,17S)-17-ethynyl-13-methyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9S,13S,14S,17S)-17-ethynyl-13-methyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,13S,14S,17S)-17-ethynyl-13-methyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C20H26O
MOLECULAR WEIGHT: 282.41984
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2C#C)CCC4=C3CCC(=O)C4
Structure:
CAS RN: 13078-86-9
CAS Name: 1-(4-nitrophenyl)-2-propanamine hydrochloride
OPENEYE Name: 1-(4-nitrophenyl)propan-2-amine hydrochloride
IUPAC Name: 1-(4-nitrophenyl)propan-2-amine hydrochloride
SYSTEMATIC NAME: 1-(4-nitrophenyl)propan-2-amine hydrochloride
MOLECULAR FORMULA: C9H13ClN2O2
MOLECULAR WEIGHT: 216.66472
SMILES: CC(CC1=CC=C(C=C1)[N+](=O)[O-])N.Cl
Structure:
CAS RN: 13078-71-2
CAS Name: 2-(2,5-dimethoxyphenyl)-1-propanamine hydrochloride
OPENEYE Name: 2-(2,5-dimethoxyphenyl)propan-1-amine hydrochloride
IUPAC Name: 2-(2,5-dimethoxyphenyl)propan-1-amine hydrochloride
SYSTEMATIC NAME: 2-(2,5-dimethoxyphenyl)propan-1-amine hydrochloride
MOLECULAR FORMULA: C11H18ClNO2
MOLECULAR WEIGHT: 231.71912
SMILES: CC(CN)C1=C(C=CC(=C1)OC)OC.Cl
Structure:
CAS RN: 13075-94-0
CAS Name: 4-[2-[(phenylmethyl)amino]ethyl]benzene-1,2-diol hydrochloride
OPENEYE Name: 4-[2-(benzylamino)ethyl]benzene-1,2-diol hydrochloride
IUPAC Name: 4-[2-(benzylamino)ethyl]benzene-1,2-diol hydrochloride
SYSTEMATIC NAME: 4-[2-[(phenylmethyl)amino]ethyl]benzene-1,2-diol hydrochloride
MOLECULAR FORMULA: C15H18ClNO2
MOLECULAR WEIGHT: 279.76192
SMILES: C1=CC=C(C=C1)CNCCC2=CC(=C(C=C2)O)O.Cl
Structure:
CAS RN: 13075-91-7
CAS Name: 4-[2-(dimethylamino)ethyl]benzene-1,2-diol hydrochloride
OPENEYE Name: 4-[2-(dimethylamino)ethyl]benzene-1,2-diol hydrochloride
IUPAC Name: 4-[2-(dimethylamino)ethyl]benzene-1,2-diol hydrochloride
SYSTEMATIC NAME: 4-[2-(dimethylamino)ethyl]benzene-1,2-diol hydrochloride
MOLECULAR FORMULA: C10H16ClNO2
MOLECULAR WEIGHT: 217.69254
SMILES: CN(C)CCC1=CC(=C(C=C1)O)O.Cl
Structure:
CAS RN: 13074-85-6
CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; samarium(3+)
OPENEYE Name: samarium(3+) citrate
IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; samarium(3+)
SYSTEMATIC NAME: 2-oxidanylpropane-1,2,3-tricarboxylate; samarium(3+)
MOLECULAR FORMULA: C6H5O7Sm
MOLECULAR WEIGHT: 339.4597
SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Sm+3]
Structure:
CAS RN: 13074-13-0
CAS Name: methoxy-methyl-(3-methyl-4-nitrophenoxy)-sulfanylidenephosphorane
OPENEYE Name: methoxy-methyl-(3-methyl-4-nitro-phenoxy)-thioxo-$l^{5}-phosphane
IUPAC Name: methoxy-methyl-(3-methyl-4-nitrophenoxy)-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: methoxy-methyl-(3-methyl-4-nitro-phenoxy)-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C9H12NO4PS
MOLECULAR WEIGHT: 261.234641
SMILES: CC1=C(C=CC(=C1)OP(=S)(C)OC)[N+](=O)[O-]
Structure:
CAS RN: 13074-12-9
CAS Name: methoxy-methyl-(4-nitrophenoxy)-sulfanylidenephosphorane
OPENEYE Name: methoxy-methyl-(4-nitrophenoxy)-thioxo-$l^{5}-phosphane
IUPAC Name: methoxy-methyl-(4-nitrophenoxy)-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: methoxy-methyl-(4-nitrophenoxy)-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C8H10NO4PS
MOLECULAR WEIGHT: 247.208061
SMILES: COP(=S)(C)OC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 13073-90-0
CAS Name: N,N-diethyl-2-[4-[2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethanamine
OPENEYE Name: N,N-diethyl-2-[4-[2-(4-methoxyphenyl)tetralin-1-yl]phenoxy]ethanamine
IUPAC Name: N,N-diethyl-2-[4-[2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethanamine
SYSTEMATIC NAME: N,N-diethyl-2-[4-[2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethanamine
MOLECULAR FORMULA: C29H35NO2
MOLECULAR WEIGHT: 429.5937
SMILES: CCN(CC)CCOC1=CC=C(C=C1)C2C(CCC3=CC=CC=C23)C4=CC=C(C=C4)OC
Structure:
CAS RN: 13073-58-0
CAS Name: N,N-diethyl-2-[4-[(1R,2R)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethanamine hydrochloride
OPENEYE Name: N,N-diethyl-2-[4-[(1R,2R)-6-methoxy-2-phenyl-tetralin-1-yl]phenoxy]ethanamine hydrochloride
IUPAC Name: N,N-diethyl-2-[4-[(1R,2R)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethanamine hydrochloride
SYSTEMATIC NAME: N,N-diethyl-2-[4-[(1R,2R)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethanamine hydrochloride
MOLECULAR FORMULA: C29H36ClNO2
MOLECULAR WEIGHT: 466.05464
SMILES: CCN(CC)CCOC1=CC=C(C=C1)[C@H]2[C@@H](CCC3=C2C=CC(=C3)OC)C4=CC=CC=C4.Cl
Structure:
CAS RN: 13073-18-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H54I2N4O2
MOLECULAR WEIGHT: 828.6485
SMILES: CC(=O)N1CCC[N+]2(CCC(CC2)(CN(CCC[N+]3(CCC(C1)(CC3)C4=CC=CC=C4)C)C(=O)C)C5=CC=CC=C5)C.[I-].[I-]
Structure:
CAS RN: 13073-17-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H48N4O2
MOLECULAR WEIGHT: 544.77052
SMILES: CC(=O)N1CCCN2CCC(CC2)(CN(CCCN3CCC(C1)(CC3)C4=CC=CC=C4)C(=O)C)C5=CC=CC=C5
Structure:
CAS RN: 13073-16-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H44N4
MOLECULAR WEIGHT: 460.69716
SMILES: C1CNCC2(CCN(CCCNCC3(CCN(C1)CC3)C4=CC=CC=C4)CC2)C5=CC=CC=C5
Structure:
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