CAS RN: 26289-39-4
CAS Name: 2-amino-5-[[1-(carboxymethylamino)-3-[(2,4-dinitrophenyl)thio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
OPENEYE Name: 2-amino-5-[[2-(carboxymethylamino)-1-[(2,4-dinitrophenyl)sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
IUPAC Name: 2-amino-5-[[1-(carboxymethylamino)-3-(2,4-dinitrophenyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: 2-azanyl-5-[[3-(2,4-dinitrophenyl)sulfanyl-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C16H19N5O10S
MOLECULAR WEIGHT: 473.41456
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
Structure:
CAS RN: 4337-22-8
CAS Name: [[2,3-dichloro-4-(diphenylmethylene)cyclobutylidene]-phenylmethyl]benzene
OPENEYE Name: [(2-benzhydrylidene-3,4-dichloro-cyclobutylidene)-phenyl-methyl]benzene
IUPAC Name: [(2-benzhydrylidene-3,4-dichlorocyclobutylidene)-phenylmethyl]benzene
SYSTEMATIC NAME: [[2,3-bis(chloranyl)-4-(diphenylmethylidene)cyclobutylidene]-phenyl-methyl]benzene
MOLECULAR FORMULA: C30H22Cl2
MOLECULAR WEIGHT: 453.40168
SMILES: C1=CC=C(C=C1)C(=C2C(C(C2=C(C3=CC=CC=C3)C4=CC=CC=C4)Cl)Cl)C5=CC=CC=C5
Structure:
CAS RN: 19462-61-4
CAS Name: 3a,4,5,6,7,8-hexahydro-2H-cyclohepta[c]pyrazol-3-one
OPENEYE Name: 3a,4,5,6,7,8-hexahydro-2H-cyclohepta[c]pyrazol-3-one
IUPAC Name: 3a,4,5,6,7,8-hexahydro-2H-cyclohepta[c]pyrazol-3-one
SYSTEMATIC NAME: 3a,4,5,6,7,8-hexahydro-2H-cyclohepta[c]pyrazol-3-one
MOLECULAR FORMULA: C8H12N2O
MOLECULAR WEIGHT: 152.19368
SMILES: C1CCC2C(=NNC2=O)CC1
Structure:
CAS RN: 51779-32-9
CAS Name: N-[(2-methylpropan-2-yl)oxy-oxomethyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-tert-butoxycarbonylcarbamate
IUPAC Name: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
MOLECULAR FORMULA: C10H19NO4
MOLECULAR WEIGHT: 217.26216
SMILES: CC(C)(C)OC(=O)NC(=O)OC(C)(C)C
Structure:
CAS RN: 19462-64-7
CAS Name: 2,3a,4,5,6,7,8,9-octahydrocycloocta[c]pyrazol-3-one
OPENEYE Name: 2,3a,4,5,6,7,8,9-octahydrocycloocta[c]pyrazol-3-one
IUPAC Name: 2,3a,4,5,6,7,8,9-octahydrocycloocta[c]pyrazol-3-one
SYSTEMATIC NAME: 2,3a,4,5,6,7,8,9-octahydrocycloocta[c]pyrazol-3-one
MOLECULAR FORMULA: C9H14N2O
MOLECULAR WEIGHT: 166.22026
SMILES: C1CCCC2=NNC(=O)C2CC1
Structure:
CAS RN: 19462-65-8
CAS Name: 3a-chloro-4,5,6,7,8,9-hexahydro-2H-cycloocta[c]pyrazol-3-one
OPENEYE Name: 3a-chloro-4,5,6,7,8,9-hexahydro-2H-cycloocta[c]pyrazol-3-one
IUPAC Name: 3a-chloro-4,5,6,7,8,9-hexahydro-2H-cycloocta[c]pyrazol-3-one
SYSTEMATIC NAME: 3a-chloranyl-4,5,6,7,8,9-hexahydro-2H-cycloocta[c]pyrazol-3-one
MOLECULAR FORMULA: C9H13ClN2O
MOLECULAR WEIGHT: 200.66532
SMILES: C1CCCC2(C(=NNC2=O)CC1)Cl
Structure:
CAS RN: 1817-88-5
CAS Name: [benzenesulfonyl(dichloro)methyl]sulfonylbenzene
OPENEYE Name: [benzenesulfonyl(dichloro)methyl]sulfonylbenzene
IUPAC Name: [benzenesulfonyl(dichloro)methyl]sulfonylbenzene
SYSTEMATIC NAME: [bis(chloranyl)-(phenylsulfonyl)methyl]sulfonylbenzene
MOLECULAR FORMULA: C13H10Cl2O4S2
MOLECULAR WEIGHT: 365.2521
SMILES: C1=CC=C(C=C1)S(=O)(=O)C(S(=O)(=O)C2=CC=CC=C2)(Cl)Cl
Structure:
CAS RN: 33575-77-8
CAS Name: 1-(benzenesulfonyl)ethylsulfonylbenzene
OPENEYE Name: 1-(benzenesulfonyl)ethylsulfonylbenzene
IUPAC Name: 1-(benzenesulfonyl)ethylsulfonylbenzene
SYSTEMATIC NAME: 1-(phenylsulfonyl)ethylsulfonylbenzene
MOLECULAR FORMULA: C14H14O4S2
MOLECULAR WEIGHT: 310.38856
SMILES: CC(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2
Structure:
CAS RN: 70227-29-1
CAS Name: 1-fluoro-4-[[(4-fluorophenyl)methylthio]methyl]benzene
OPENEYE Name: 1-fluoro-4-[(4-fluorophenyl)methylsulfanylmethyl]benzene
IUPAC Name: 1-fluoro-4-[(4-fluorophenyl)methylsulfanylmethyl]benzene
SYSTEMATIC NAME: 1-fluoranyl-4-[(4-fluorophenyl)methylsulfanylmethyl]benzene
MOLECULAR FORMULA: C14H12F2S
MOLECULAR WEIGHT: 250.306886
SMILES: C1=CC(=CC=C1CSCC2=CC=C(C=C2)F)F
Structure:
CAS RN: 19712-33-5
CAS Name: 1,2-dimethoxy-2,3-dihydro-1H-indene
OPENEYE Name: 1,2-dimethoxyindane
IUPAC Name: 1,2-dimethoxy-2,3-dihydro-1H-indene
SYSTEMATIC NAME: 1,2-dimethoxy-2,3-dihydro-1H-indene
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: COC1CC2=CC=CC=C2C1OC
Structure:
CAS RN: 19597-95-6
CAS Name: 1,2-dimethoxy-2,3-dihydro-1H-indene
OPENEYE Name: 1,2-dimethoxyindane
IUPAC Name: 1,2-dimethoxy-2,3-dihydro-1H-indene
SYSTEMATIC NAME: 1,2-dimethoxy-2,3-dihydro-1H-indene
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: COC1CC2=CC=CC=C2C1OC
Structure:
CAS RN: 312269-35-5
CAS Name: 2-chloro-5-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzenesulfonyl fluoride; ethanesulfonic acid
OPENEYE Name: 2-chloro-5-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzenesulfonyl fluoride; ethanesulfonic acid
IUPAC Name: 2-chloro-5-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzenesulfonyl fluoride; ethanesulfonic acid
SYSTEMATIC NAME: 5-[[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]-2-chloranyl-phenoxy]methyl]-2-chloranyl-benzenesulfonyl fluoride; ethanesulfonic acid
MOLECULAR FORMULA: C20H24Cl2FN5O6S2
MOLECULAR WEIGHT: 584.468863
SMILES: CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=CC(=C(C=C3)Cl)S(=O)(=O)F)Cl)N)N)C
Structure:
CAS RN: 71444-29-6
CAS Name: 2-[hydroxy-(4-nitrophenyl)methyl]-1-cyclohexanone
OPENEYE Name: 2-[hydroxy-(4-nitrophenyl)methyl]cyclohexanone
IUPAC Name: 2-[hydroxy-(4-nitrophenyl)methyl]cyclohexan-1-one
SYSTEMATIC NAME: 2-[(4-nitrophenyl)-oxidanyl-methyl]cyclohexan-1-one
MOLECULAR FORMULA: C13H15NO4
MOLECULAR WEIGHT: 249.2625
SMILES: C1CCC(=O)C(C1)C(C2=CC=C(C=C2)[N+](=O)[O-])O
Structure:
CAS RN: 27311-88-2
CAS Name: benzoic acid (4-fluorophenyl) ester
OPENEYE Name: (4-fluorophenyl) benzoate
IUPAC Name: (4-fluorophenyl) benzoate
SYSTEMATIC NAME: (4-fluorophenyl) benzoate
MOLECULAR FORMULA: C13H9FO2
MOLECULAR WEIGHT: 216.207763
SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)F
Structure:
CAS RN: 51557-26-7
CAS Name: acetic acid (1-benzoylcyclopropyl)methyl ester
OPENEYE Name: (1-benzoylcyclopropyl)methyl acetate
IUPAC Name: (1-benzoylcyclopropyl)methyl acetate
SYSTEMATIC NAME: [1-(phenylcarbonyl)cyclopropyl]methyl ethanoate
MOLECULAR FORMULA: C13H14O3
MOLECULAR WEIGHT: 218.24846
SMILES: CC(=O)OCC1(CC1)C(=O)C2=CC=CC=C2
Structure:
CAS RN: 51175-78-1
CAS Name: (1-bromocyclobutyl)-phenylmethanone
OPENEYE Name: (1-bromocyclobutyl)-phenyl-methanone
IUPAC Name: (1-bromocyclobutyl)-phenylmethanone
SYSTEMATIC NAME: (1-bromanylcyclobutyl)-phenyl-methanone
MOLECULAR FORMULA: C11H11BrO
MOLECULAR WEIGHT: 239.10844
SMILES: C1CC(C1)(C(=O)C2=CC=CC=C2)Br
Structure:
CAS RN: 51559-59-2
CAS Name: (1-bromocyclobutyl)-phenylmethanone
OPENEYE Name: (1-bromocyclobutyl)-phenyl-methanone
IUPAC Name: (1-bromocyclobutyl)-phenylmethanone
SYSTEMATIC NAME: (1-bromanylcyclobutyl)-phenyl-methanone
MOLECULAR FORMULA: C11H11BrO
MOLECULAR WEIGHT: 239.10844
SMILES: C1CC(C1)(C(=O)C2=CC=CC=C2)Br
Structure:
CAS RN: 18623-13-7
CAS Name: 1-(3,6-dihydro-2H-pyridin-1-yl)ethanone
OPENEYE Name: 1-(3,6-dihydro-2H-pyridin-1-yl)ethanone
IUPAC Name: 1-(3,6-dihydro-2H-pyridin-1-yl)ethanone
SYSTEMATIC NAME: 1-(3,6-dihydro-2H-pyridin-1-yl)ethanone
MOLECULAR FORMULA: C7H11NO
MOLECULAR WEIGHT: 125.16834
SMILES: CC(=O)N1CCC=CC1
Structure:
CAS RN: 16926-87-7
CAS Name: 1-(benzenesulfonyl)-2,5-dihydropyrrole
OPENEYE Name: 1-(benzenesulfonyl)-2,5-dihydropyrrole
IUPAC Name: 1-(benzenesulfonyl)-2,5-dihydropyrrole
SYSTEMATIC NAME: 1-(phenylsulfonyl)-2,5-dihydropyrrole
MOLECULAR FORMULA: C10H11NO2S
MOLECULAR WEIGHT: 209.26484
SMILES: C1C=CCN1S(=O)(=O)C2=CC=CC=C2
Structure:
CAS RN: 87142-65-2
CAS Name: 1-(benzenesulfonyl)-3,6-dihydro-2H-pyridine
OPENEYE Name: 1-(benzenesulfonyl)-3,6-dihydro-2H-pyridine
IUPAC Name: 1-(benzenesulfonyl)-3,6-dihydro-2H-pyridine
SYSTEMATIC NAME: 1-(phenylsulfonyl)-3,6-dihydro-2H-pyridine
MOLECULAR FORMULA: C11H13NO2S
MOLECULAR WEIGHT: 223.29142
SMILES: C1CN(CC=C1)S(=O)(=O)C2=CC=CC=C2
Structure:
CAS RN: 5840-59-5
CAS Name: 2-(4-methoxyphenyl)-3-phenyl-2-propenenitrile
OPENEYE Name: 2-(4-methoxyphenyl)-3-phenyl-prop-2-enenitrile
IUPAC Name: 2-(4-methoxyphenyl)-3-phenylprop-2-enenitrile
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-3-phenyl-prop-2-enenitrile
MOLECULAR FORMULA: C16H13NO
MOLECULAR WEIGHT: 235.28052
SMILES: COC1=CC=C(C=C1)C(=CC2=CC=CC=C2)C#N
Structure:
CAS RN: 74272-61-0
CAS Name: 2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2-propenenitrile
OPENEYE Name: 2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enenitrile
IUPAC Name: 2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enenitrile
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enenitrile
MOLECULAR FORMULA: C18H17NO3
MOLECULAR WEIGHT: 295.33248
SMILES: COC1=CC=C(C=C1)C=C(C#N)C2=CC(=C(C=C2)OC)OC
Structure:
CAS RN: 23325-87-3
CAS Name: 3-(2,3-dimethoxyphenyl)-2-(4-methoxyphenyl)-2-propenenitrile
OPENEYE Name: 3-(2,3-dimethoxyphenyl)-2-(4-methoxyphenyl)prop-2-enenitrile
IUPAC Name: 3-(2,3-dimethoxyphenyl)-2-(4-methoxyphenyl)prop-2-enenitrile
SYSTEMATIC NAME: 3-(2,3-dimethoxyphenyl)-2-(4-methoxyphenyl)prop-2-enenitrile
MOLECULAR FORMULA: C18H17NO3
MOLECULAR WEIGHT: 295.33248
SMILES: COC1=CC=C(C=C1)C(=CC2=C(C(=CC=C2)OC)OC)C#N
Structure:
CAS RN: 72232-89-4
CAS Name: 1,3-dimethyl-7-[(4-methyl-1-piperazinyl)methyl]purine-2,6-dione
OPENEYE Name: 1,3-dimethyl-7-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione
IUPAC Name: 1,3-dimethyl-7-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione
SYSTEMATIC NAME: 1,3-dimethyl-7-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione
MOLECULAR FORMULA: C13H20N6O2
MOLECULAR WEIGHT: 292.3369
SMILES: CN1CCN(CC1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C
Structure:
CAS RN: 89464-63-1
CAS Name: 1-(1-benzotriazolylmethyl)benzotriazole
OPENEYE Name: 1-(benzotriazol-1-ylmethyl)benzotriazole
IUPAC Name: 1-(benzotriazol-1-ylmethyl)benzotriazole
SYSTEMATIC NAME: 1-(benzotriazol-1-ylmethyl)benzotriazole
MOLECULAR FORMULA: C13H10N6
MOLECULAR WEIGHT: 250.2587
SMILES: C1=CC=C2C(=C1)N=NN2CN3C4=CC=CC=C4N=N3
Structure:
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