CAS RN: 42732-22-9
CAS Name: 2-chloro-3-[4-(dimethylamino)anilino]naphthalene-1,4-dione
OPENEYE Name: 2-chloro-3-[4-(dimethylamino)anilino]naphthalene-1,4-dione
IUPAC Name: 2-chloro-3-[4-(dimethylamino)anilino]naphthalene-1,4-dione
SYSTEMATIC NAME: 2-chloranyl-3-[[4-(dimethylamino)phenyl]amino]naphthalene-1,4-dione
MOLECULAR FORMULA: C18H15ClN2O2
MOLECULAR WEIGHT: 326.7769
SMILES: CN(C)C1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl
Structure:
CAS RN: 64897-00-3
CAS Name: 2-chloro-3-(4-hydroxyanilino)naphthalene-1,4-dione
OPENEYE Name: 2-chloro-3-(4-hydroxyanilino)naphthalene-1,4-dione
IUPAC Name: 2-chloro-3-(4-hydroxyanilino)naphthalene-1,4-dione
SYSTEMATIC NAME: 2-chloranyl-3-[(4-hydroxyphenyl)amino]naphthalene-1,4-dione
MOLECULAR FORMULA: C16H10ClNO3
MOLECULAR WEIGHT: 299.7085
SMILES: C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)O
Structure:
CAS RN: 21888-92-6
CAS Name: 4-(9-fluorenylidenemethyl)-N-methylaniline
OPENEYE Name: 4-(fluoren-9-ylidenemethyl)-N-methyl-aniline
IUPAC Name: 4-(fluoren-9-ylidenemethyl)-N-methylaniline
SYSTEMATIC NAME: 4-(fluoren-9-ylidenemethyl)-N-methyl-aniline
MOLECULAR FORMULA: C21H17N
MOLECULAR WEIGHT: 283.36638
SMILES: CNC1=CC=C(C=C1)C=C2C3=CC=CC=C3C4=CC=CC=C42
Structure:
CAS RN: 2182-14-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H32N2O6
MOLECULAR WEIGHT: 456.53138
SMILES: CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=C4C=CC(=C5)OC)C
Structure:
CAS RN: 24044-91-5
CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetohydrazide
OPENEYE Name: 2-(1,3-benzothiazol-2-ylsulfanyl)acetohydrazide
IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)acetohydrazide
SYSTEMATIC NAME: 2-(1,3-benzothiazol-2-ylsulfanyl)ethanehydrazide
MOLECULAR FORMULA: C9H9N3OS2
MOLECULAR WEIGHT: 239.31726
SMILES: C1=CC=C2C(=C1)N=C(S2)SCC(=O)NN
Structure:
CAS RN: 49848-22-8
CAS Name: 2-mercapto-N-methyl-N-phenylbenzamide
OPENEYE Name: N-methyl-N-phenyl-2-sulfanyl-benzamide
IUPAC Name: N-methyl-N-phenyl-2-sulfanylbenzamide
SYSTEMATIC NAME: N-methyl-N-phenyl-2-sulfanyl-benzamide
MOLECULAR FORMULA: C14H13NOS
MOLECULAR WEIGHT: 243.32412
SMILES: CN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2S
Structure:
CAS RN: 1138-44-9
CAS Name: 1-(1,3-dioxo-2-indenyl)-5-phenylpentane-1,3,5-trione
OPENEYE Name: 1-(1,3-dioxoindan-2-yl)-5-phenyl-pentane-1,3,5-trione
IUPAC Name: 1-(1,3-dioxoinden-2-yl)-5-phenylpentane-1,3,5-trione
SYSTEMATIC NAME: 1-[1,3-bis(oxidanylidene)inden-2-yl]-5-phenyl-pentane-1,3,5-trione
MOLECULAR FORMULA: C20H14O5
MOLECULAR WEIGHT: 334.32216
SMILES: C1=CC=C(C=C1)C(=O)CC(=O)CC(=O)C2C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 113831-00-8
CAS Name: 1-phenyl-5-[4-(1,3,5-trioxo-5-phenylpentyl)phenyl]pentane-1,3,5-trione
OPENEYE Name: 1-[4-(3,5-dioxo-5-phenyl-pentanoyl)phenyl]-5-phenyl-pentane-1,3,5-trione
IUPAC Name: 1-[4-(3,5-dioxo-5-phenylpentanoyl)phenyl]-5-phenylpentane-1,3,5-trione
SYSTEMATIC NAME: 1-[4-[3,5-bis(oxidanylidene)-5-phenyl-pentanoyl]phenyl]-5-phenyl-pentane-1,3,5-trione
MOLECULAR FORMULA: C28H22O6
MOLECULAR WEIGHT: 454.47068
SMILES: C1=CC=C(C=C1)C(=O)CC(=O)CC(=O)C2=CC=C(C=C2)C(=O)CC(=O)CC(=O)C3=CC=CC=C3
Structure:
CAS RN: 78644-90-3
CAS Name: 4-hydroxy-4-methylpentanenitrile
OPENEYE Name: 4-hydroxy-4-methyl-pentanenitrile
IUPAC Name: 4-hydroxy-4-methylpentanenitrile
SYSTEMATIC NAME: 4-methyl-4-oxidanyl-pentanenitrile
MOLECULAR FORMULA: C6H11NO
MOLECULAR WEIGHT: 113.15764
SMILES: CC(C)(CCC#N)O
Structure:
CAS RN: 23008-81-3
CAS Name: 2-(8-methyl-4-oxa-1,8-diazaspiro[4.5]decan-1-yl)ethanol
OPENEYE Name: 2-(8-methyl-4-oxa-1,8-diazaspiro[4.5]decan-1-yl)ethanol
IUPAC Name: 2-(8-methyl-4-oxa-1,8-diazaspiro[4.5]decan-1-yl)ethanol
SYSTEMATIC NAME: 2-(8-methyl-4-oxa-1,8-diazaspiro[4.5]decan-1-yl)ethanol
MOLECULAR FORMULA: C10H20N2O2
MOLECULAR WEIGHT: 200.278
SMILES: CN1CCC2(CC1)N(CCO2)CCO
Structure:
CAS RN: 157496-34-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H6Cl12
MOLECULAR WEIGHT: 611.64414
SMILES: C1C2C(C3C1C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)C5(C(=C(C2(C5(Cl)Cl)Cl)Cl)Cl)Cl
Structure:
CAS RN: 5435-29-0
CAS Name: 5-(5,6-dimethyl-1-benzimidazolyl)-2-(hydroxymethyl)-3-oxolanol
OPENEYE Name: 5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
IUPAC Name: 5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)oxolan-3-ol
SYSTEMATIC NAME: 5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)oxolan-3-ol
MOLECULAR FORMULA: C14H18N2O3
MOLECULAR WEIGHT: 262.30432
SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3CC(C(O3)CO)O
Structure:
CAS RN: 16232-99-8
CAS Name: 1-(2-chloroethyl)-3-cyclooctylurea
OPENEYE Name: 1-(2-chloroethyl)-3-cyclooctyl-urea
IUPAC Name: 1-(2-chloroethyl)-3-cyclooctylurea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-cyclooctyl-urea
MOLECULAR FORMULA: C11H21ClN2O
MOLECULAR WEIGHT: 232.75024
SMILES: C1CCCC(CCC1)NC(=O)NCCCl
Structure:
CAS RN: 1628-11-1
CAS Name: 1-(2-chloroethyl)-3-[2-[4-[[(2-chloroethylamino)-oxomethyl]amino]-4-methylcyclohexyl]propan-2-yl]urea
OPENEYE Name: 1-(2-chloroethyl)-3-[1-[4-(2-chloroethylcarbamoylamino)-4-methyl-cyclohexyl]-1-methyl-ethyl]urea
IUPAC Name: 1-(2-chloroethyl)-3-[2-[4-(2-chloroethylcarbamoylamino)-4-methylcyclohexyl]propan-2-yl]urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-[2-[4-(2-chloroethylcarbamoylamino)-4-methyl-cyclohexyl]propan-2-yl]urea
MOLECULAR FORMULA: C16H30Cl2N4O2
MOLECULAR WEIGHT: 381.341
SMILES: CC1(CCC(CC1)C(C)(C)NC(=O)NCCCl)NC(=O)NCCCl
Structure:
CAS RN: 16239-11-5
CAS Name: 1-(2-chloroethyl)-3-(2-methylphenyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(o-tolyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(2-methylphenyl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(2-methylphenyl)urea
MOLECULAR FORMULA: C10H13ClN2O
MOLECULAR WEIGHT: 212.67602
SMILES: CC1=CC=CC=C1NC(=O)NCCCl
Structure:
CAS RN: 16260-48-3
CAS Name: 2-[[4-[[(2-chloroethylamino)-oxomethyl]amino]phenyl]thio]acetic acid
OPENEYE Name: 2-[4-(2-chloroethylcarbamoylamino)phenyl]sulfanylacetic acid
IUPAC Name: 2-[4-(2-chloroethylcarbamoylamino)phenyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[4-(2-chloroethylcarbamoylamino)phenyl]sulfanylethanoic acid
MOLECULAR FORMULA: C11H13ClN2O3S
MOLECULAR WEIGHT: 288.75052
SMILES: C1=CC(=CC=C1NC(=O)NCCCl)SCC(=O)O
Structure:
CAS RN: 16332-95-9
CAS Name: 2-[[4-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]phenyl]thio]acetic acid
OPENEYE Name: 2-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]phenyl]sulfanylacetic acid
IUPAC Name: 2-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]phenyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]phenyl]sulfanylethanoic acid
MOLECULAR FORMULA: C11H12ClN3O4S
MOLECULAR WEIGHT: 317.74868
SMILES: C1=CC(=CC=C1NC(=O)N(CCCl)N=O)SCC(=O)O
Structure:
CAS RN: 13909-30-3
CAS Name: 2-[[4-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]phenyl]thio]acetic acid
OPENEYE Name: 2-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]phenyl]sulfanylacetic acid
IUPAC Name: 2-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]phenyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]phenyl]sulfanylethanoic acid
MOLECULAR FORMULA: C11H12ClN3O4S
MOLECULAR WEIGHT: 317.74868
SMILES: C1=CC(=CC=C1NC(=O)N(CCCl)N=O)SCC(=O)O
Structure:
CAS RN: 39627-23-1
CAS Name: (1R,2R)-1,2-dibromocyclooctane
OPENEYE Name: (1R,2R)-1,2-dibromocyclooctane
IUPAC Name: (1R,2R)-1,2-dibromocyclooctane
SYSTEMATIC NAME: (1R,2R)-1,2-bis(bromanyl)cyclooctane
MOLECULAR FORMULA: C8H14Br2
MOLECULAR WEIGHT: 270.00476
SMILES: C1CCC[C@H]([C@@H](CC1)Br)Br
Structure:
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