CAS RN: 7497-47-4
CAS Name: 2-phenyl-3-(4-propan-2-ylphenyl)butanedinitrile
OPENEYE Name: 2-(4-isopropylphenyl)-3-phenyl-butanedinitrile
IUPAC Name: 2-phenyl-3-(4-propan-2-ylphenyl)butanedinitrile
SYSTEMATIC NAME: 2-phenyl-3-(4-propan-2-ylphenyl)butanedinitrile
MOLECULAR FORMULA: C19H18N2
MOLECULAR WEIGHT: 274.35962
SMILES: CC(C)C1=CC=C(C=C1)C(C#N)C(C#N)C2=CC=CC=C2
Structure:
CAS RN: 3261-89-0
CAS Name: 2-(4-methoxyphenyl)-4-oxo-4-phenylbutanenitrile
OPENEYE Name: 2-(4-methoxyphenyl)-4-oxo-4-phenyl-butanenitrile
IUPAC Name: 2-(4-methoxyphenyl)-4-oxo-4-phenylbutanenitrile
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-4-oxidanylidene-4-phenyl-butanenitrile
MOLECULAR FORMULA: C17H15NO2
MOLECULAR WEIGHT: 265.3065
SMILES: COC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C#N
Structure:
CAS RN: 7497-46-3
CAS Name: 4-(4-methylphenyl)-4-oxo-2-phenylbutanenitrile
OPENEYE Name: 4-oxo-2-phenyl-4-(p-tolyl)butanenitrile
IUPAC Name: 4-(4-methylphenyl)-4-oxo-2-phenylbutanenitrile
SYSTEMATIC NAME: 4-(4-methylphenyl)-4-oxidanylidene-2-phenyl-butanenitrile
MOLECULAR FORMULA: C17H15NO
MOLECULAR WEIGHT: 249.3071
SMILES: CC1=CC=C(C=C1)C(=O)CC(C#N)C2=CC=CC=C2
Structure:
CAS RN: 7497-45-2
CAS Name: 2-(4-methoxyphenyl)-3-phenylbutanedinitrile
OPENEYE Name: 2-(4-methoxyphenyl)-3-phenyl-butanedinitrile
IUPAC Name: 2-(4-methoxyphenyl)-3-phenylbutanedinitrile
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-3-phenyl-butanedinitrile
MOLECULAR FORMULA: C17H14N2O
MOLECULAR WEIGHT: 262.30586
SMILES: COC1=CC=C(C=C1)C(C#N)C(C#N)C2=CC=CC=C2
Structure:
CAS RN: 3300-68-3
CAS Name: 2-(2-chlorophenyl)-4-oxo-4-phenylbutanenitrile
OPENEYE Name: 2-(2-chlorophenyl)-4-oxo-4-phenyl-butanenitrile
IUPAC Name: 2-(2-chlorophenyl)-4-oxo-4-phenylbutanenitrile
SYSTEMATIC NAME: 2-(2-chlorophenyl)-4-oxidanylidene-4-phenyl-butanenitrile
MOLECULAR FORMULA: C16H12ClNO
MOLECULAR WEIGHT: 269.72558
SMILES: C1=CC=C(C=C1)C(=O)CC(C#N)C2=CC=CC=C2Cl
Structure:
CAS RN: 7497-44-1
CAS Name: 2-(4-chlorophenyl)-3-phenylbutanedinitrile
OPENEYE Name: 2-(4-chlorophenyl)-3-phenyl-butanedinitrile
IUPAC Name: 2-(4-chlorophenyl)-3-phenylbutanedinitrile
SYSTEMATIC NAME: 2-(4-chlorophenyl)-3-phenyl-butanedinitrile
MOLECULAR FORMULA: C16H11ClN2
MOLECULAR WEIGHT: 266.72494
SMILES: C1=CC=C(C=C1)C(C#N)C(C#N)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 7497-43-0
CAS Name: 4-[2-amino-1-(4-methoxyphenyl)ethyl]aniline
OPENEYE Name: 4-[2-amino-1-(4-methoxyphenyl)ethyl]aniline
IUPAC Name: 4-[2-amino-1-(4-methoxyphenyl)ethyl]aniline
SYSTEMATIC NAME: 4-[2-azanyl-1-(4-methoxyphenyl)ethyl]aniline
MOLECULAR FORMULA: C15H18N2O
MOLECULAR WEIGHT: 242.31622
SMILES: COC1=CC=C(C=C1)C(CN)C2=CC=C(C=C2)N
Structure:
CAS RN: 7497-41-8
CAS Name: 2-(4-aminophenyl)-2-(4-methoxyphenyl)acetic acid
OPENEYE Name: 2-(4-aminophenyl)-2-(4-methoxyphenyl)acetic acid
IUPAC Name: 2-(4-aminophenyl)-2-(4-methoxyphenyl)acetic acid
SYSTEMATIC NAME: 2-(4-aminophenyl)-2-(4-methoxyphenyl)ethanoic acid
MOLECULAR FORMULA: C15H15NO3
MOLECULAR WEIGHT: 257.2845
SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)N)C(=O)O
Structure:
CAS RN: 3122-39-2
CAS Name: 2-(4-hydroxyimino-1-cyclohexa-2,5-dienylidene)-2-(4-methoxyphenyl)acetonitrile
OPENEYE Name: 2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)-2-(4-methoxyphenyl)acetonitrile
IUPAC Name: 2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)-2-(4-methoxyphenyl)acetonitrile
SYSTEMATIC NAME: 2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)-2-(4-methoxyphenyl)ethanenitrile
MOLECULAR FORMULA: C15H12N2O2
MOLECULAR WEIGHT: 252.26798
SMILES: COC1=CC=C(C=C1)C(=C2C=CC(=NO)C=C2)C#N
Structure:
CAS RN: 7770-60-7
CAS Name: 2-(4-aminophenyl)-2-phenylacetic acid
OPENEYE Name: 2-(4-aminophenyl)-2-phenyl-acetic acid
IUPAC Name: 2-(4-aminophenyl)-2-phenylacetic acid
SYSTEMATIC NAME: 2-(4-aminophenyl)-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C14H13NO2
MOLECULAR WEIGHT: 227.25852
SMILES: C1=CC=C(C=C1)C(C2=CC=C(C=C2)N)C(=O)O
Structure:
CAS RN: 7496-29-9
CAS Name: 2-(4-amino-3-chlorophenyl)-2-phenylacetic acid
OPENEYE Name: 2-(4-amino-3-chloro-phenyl)-2-phenyl-acetic acid
IUPAC Name: 2-(4-amino-3-chlorophenyl)-2-phenylacetic acid
SYSTEMATIC NAME: 2-(4-azanyl-3-chloranyl-phenyl)-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C14H12ClNO2
MOLECULAR WEIGHT: 261.70358
SMILES: C1=CC=C(C=C1)C(C2=CC(=C(C=C2)N)Cl)C(=O)O
Structure:
CAS RN: 888-39-1
CAS Name: 2-(4-hydroxyimino-1-cyclohexa-2,5-dienylidene)-2-phenylacetonitrile
OPENEYE Name: 2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)-2-phenyl-acetonitrile
IUPAC Name: 2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile
SYSTEMATIC NAME: 2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C14H10N2O
MOLECULAR WEIGHT: 222.242
SMILES: C1=CC=C(C=C1)C(=C2C=CC(=NO)C=C2)C#N
Structure:
CAS RN: 958-11-2
CAS Name: 2-(4-chlorophenyl)-2-(4-hydroxyimino-1-cyclohexa-2,5-dienylidene)acetonitrile
OPENEYE Name: 2-(4-chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)acetonitrile
IUPAC Name: 2-(4-chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)acetonitrile
SYSTEMATIC NAME: 2-(4-chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)ethanenitrile
MOLECULAR FORMULA: C14H9ClN2O
MOLECULAR WEIGHT: 256.68706
SMILES: C1=CC(=NO)C=CC1=C(C#N)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 958-67-8
CAS Name: 2-(3-chloro-4-hydroxyimino-1-cyclohexa-2,5-dienylidene)-2-phenylacetonitrile
OPENEYE Name: 2-(3-chloro-4-hydroxyimino-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-acetonitrile
IUPAC Name: 2-(3-chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile
SYSTEMATIC NAME: 2-(3-chloranyl-4-hydroxyimino-cyclohexa-2,5-dien-1-ylidene)-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C14H9ClN2O
MOLECULAR WEIGHT: 256.68706
SMILES: C1=CC=C(C=C1)C(=C2C=CC(=NO)C(=C2)Cl)C#N
Structure:
CAS RN: 6413-06-5
CAS Name: 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid [1,3-benzodioxol-5-yl(cyclohexyl)methyl] ester
OPENEYE Name: [1,3-benzodioxol-5-yl(cyclohexyl)methyl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
IUPAC Name: [1,3-benzodioxol-5-yl(cyclohexyl)methyl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SYSTEMATIC NAME: [1,3-benzodioxol-5-yl(cyclohexyl)methyl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
MOLECULAR FORMULA: C24H32O4
MOLECULAR WEIGHT: 384.50848
SMILES: CC(=CC1C(C1(C)C)C(=O)OC(C2CCCCC2)C3=CC4=C(C=C3)OCO4)C
Structure:
CAS RN: 27865-44-7
CAS Name: 4-methoxy-N-(4-methoxyphenyl)benzamide
OPENEYE Name: 4-methoxy-N-(4-methoxyphenyl)benzamide
IUPAC Name: 4-methoxy-N-(4-methoxyphenyl)benzamide
SYSTEMATIC NAME: 4-methoxy-N-(4-methoxyphenyl)benzamide
MOLECULAR FORMULA: C15H15NO3
MOLECULAR WEIGHT: 257.2845
SMILES: COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OC
Structure:
CAS RN: 6412-93-7
CAS Name: 1-(1,3-benzodioxol-5-yl)-1-hexanol
OPENEYE Name: 1-(1,3-benzodioxol-5-yl)hexan-1-ol
IUPAC Name: 1-(1,3-benzodioxol-5-yl)hexan-1-ol
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)hexan-1-ol
MOLECULAR FORMULA: C13H18O3
MOLECULAR WEIGHT: 222.28022
SMILES: CCCCCC(C1=CC2=C(C=C1)OCO2)O
Structure:
CAS RN: 6413-42-9
CAS Name: 2-(2-methoxyphenyl)-4,6-dimethyl-1,3-dioxane
OPENEYE Name: 2-(2-methoxyphenyl)-4,6-dimethyl-1,3-dioxane
IUPAC Name: 2-(2-methoxyphenyl)-4,6-dimethyl-1,3-dioxane
SYSTEMATIC NAME: 2-(2-methoxyphenyl)-4,6-dimethyl-1,3-dioxane
MOLECULAR FORMULA: C13H18O3
MOLECULAR WEIGHT: 222.28022
SMILES: CC1CC(OC(O1)C2=CC=CC=C2OC)C
Structure:
CAS RN: 61683-98-5
CAS Name: 5-(4,6-dimethyl-1,3-dioxan-2-yl)-1,3-benzodioxole
OPENEYE Name: 5-(4,6-dimethyl-1,3-dioxan-2-yl)-1,3-benzodioxole
IUPAC Name: 5-(4,6-dimethyl-1,3-dioxan-2-yl)-1,3-benzodioxole
SYSTEMATIC NAME: 5-(4,6-dimethyl-1,3-dioxan-2-yl)-1,3-benzodioxole
MOLECULAR FORMULA: C13H16O4
MOLECULAR WEIGHT: 236.26374
SMILES: CC1CC(OC(O1)C2=CC3=C(C=C2)OCO3)C
Structure:
CAS RN: 6412-92-6
CAS Name: 3-methyl-2-butenoic acid 1,3-benzodioxol-5-ylmethyl ester
OPENEYE Name: 1,3-benzodioxol-5-ylmethyl 3-methylbut-2-enoate
IUPAC Name: 1,3-benzodioxol-5-ylmethyl 3-methylbut-2-enoate
SYSTEMATIC NAME: 1,3-benzodioxol-5-ylmethyl 3-methylbut-2-enoate
MOLECULAR FORMULA: C13H14O4
MOLECULAR WEIGHT: 234.24786
SMILES: CC(=CC(=O)OCC1=CC2=C(C=C1)OCO2)C
Structure:
CAS RN: 22950-23-8
CAS Name: N-prop-2-enyl-1-naphthalenamine
OPENEYE Name: N-allylnaphthalen-1-amine
IUPAC Name: N-prop-2-enylnaphthalen-1-amine
SYSTEMATIC NAME: N-prop-2-enylnaphthalen-1-amine
MOLECULAR FORMULA: C13H13N
MOLECULAR WEIGHT: 183.24902
SMILES: C=CCNC1=CC=CC2=CC=CC=C21
Structure:
CAS RN: 69549-51-5
CAS Name: 3-(diethoxymethyl)-2-ethoxyoxane
OPENEYE Name: 3-(diethoxymethyl)-2-ethoxy-tetrahydropyran
IUPAC Name: 3-(diethoxymethyl)-2-ethoxyoxane
SYSTEMATIC NAME: 3-(diethoxymethyl)-2-ethoxy-oxane
MOLECULAR FORMULA: C12H24O4
MOLECULAR WEIGHT: 232.31656
SMILES: CCOC1C(CCCO1)C(OCC)OCC
Structure:
CAS RN: 80814-57-9
CAS Name: N,N-diethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxamide
OPENEYE Name: N,N-diethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxamide
IUPAC Name: N,N-diethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SYSTEMATIC NAME: N,N-diethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
MOLECULAR FORMULA: C14H25NO
MOLECULAR WEIGHT: 223.3544
SMILES: CCN(CC)C(=O)C1C(C1(C)C)C=C(C)C
Structure:
CAS RN: 20907-13-5
CAS Name: 2-methyl-1-phenylpropane-1,2-diol
OPENEYE Name: 2-methyl-1-phenyl-propane-1,2-diol
IUPAC Name: 2-methyl-1-phenylpropane-1,2-diol
SYSTEMATIC NAME: 2-methyl-1-phenyl-propane-1,2-diol
MOLECULAR FORMULA: C10H14O2
MOLECULAR WEIGHT: 166.21696
SMILES: CC(C)(C(C1=CC=CC=C1)O)O
Structure:
CAS RN: 7496-26-6
CAS Name: 3-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)-2-propenenitrile
OPENEYE Name: 3-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)prop-2-enenitrile
IUPAC Name: 3-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)prop-2-enenitrile
SYSTEMATIC NAME: 3-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)prop-2-enenitrile
MOLECULAR FORMULA: C17H15N3O2
MOLECULAR WEIGHT: 293.3199
SMILES: CN(C)C1=CC=C(C=C1)C=C(C#N)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 7496-18-6
CAS Name: 2-(2,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]-2-propenenitrile
OPENEYE Name: 2-(2,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
IUPAC Name: 2-(2,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
SYSTEMATIC NAME: 2-(2,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
MOLECULAR FORMULA: C17H14Cl2N2
MOLECULAR WEIGHT: 317.21246
SMILES: CN(C)C1=CC=C(C=C1)C=C(C#N)C2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 1525-46-8
CAS Name: 2-(2,6-difluorophenyl)-3-[4-(dimethylamino)phenyl]-2-propenenitrile
OPENEYE Name: 2-(2,6-difluorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
IUPAC Name: 2-(2,6-difluorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
SYSTEMATIC NAME: 2-[2,6-bis(fluoranyl)phenyl]-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
MOLECULAR FORMULA: C17H14F2N2
MOLECULAR WEIGHT: 284.303266
SMILES: CN(C)C1=CC=C(C=C1)C=C(C#N)C2=C(C=CC=C2F)F
Structure:
CAS RN: 93323-05-8
CAS Name: 2-(2,5-difluorophenyl)-3-[4-(dimethylamino)phenyl]-2-propenenitrile
OPENEYE Name: 2-(2,5-difluorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
IUPAC Name: 2-(2,5-difluorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
SYSTEMATIC NAME: 2-[2,5-bis(fluoranyl)phenyl]-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
MOLECULAR FORMULA: C17H14F2N2
MOLECULAR WEIGHT: 284.303266
SMILES: CN(C)C1=CC=C(C=C1)C=C(C#N)C2=C(C=CC(=C2)F)F
Structure:
CAS RN: 2647-31-6
CAS Name: 2-(2,6-difluorophenyl)-3-phenyl-2-propenenitrile
OPENEYE Name: 2-(2,6-difluorophenyl)-3-phenyl-prop-2-enenitrile
IUPAC Name: 2-(2,6-difluorophenyl)-3-phenylprop-2-enenitrile
SYSTEMATIC NAME: 2-[2,6-bis(fluoranyl)phenyl]-3-phenyl-prop-2-enenitrile
MOLECULAR FORMULA: C15H9F2N
MOLECULAR WEIGHT: 241.235466
SMILES: C1=CC=C(C=C1)C=C(C#N)C2=C(C=CC=C2F)F
Structure:
CAS RN: 449-00-3
CAS Name: 3-[4-(dimethylamino)phenyl]-2-(3-fluorophenyl)-2-propenenitrile
OPENEYE Name: 3-[4-(dimethylamino)phenyl]-2-(3-fluorophenyl)prop-2-enenitrile
IUPAC Name: 3-[4-(dimethylamino)phenyl]-2-(3-fluorophenyl)prop-2-enenitrile
SYSTEMATIC NAME: 3-[4-(dimethylamino)phenyl]-2-(3-fluorophenyl)prop-2-enenitrile
MOLECULAR FORMULA: C17H15FN2
MOLECULAR WEIGHT: 266.312803
SMILES: CN(C)C1=CC=C(C=C1)C=C(C#N)C2=CC(=CC=C2)F
Structure:
CAS RN: 390-98-7
CAS Name: 3-[4-(dimethylamino)phenyl]-2-(2-fluorophenyl)-2-propenenitrile
OPENEYE Name: 3-[4-(dimethylamino)phenyl]-2-(2-fluorophenyl)prop-2-enenitrile
IUPAC Name: 3-[4-(dimethylamino)phenyl]-2-(2-fluorophenyl)prop-2-enenitrile
SYSTEMATIC NAME: 3-[4-(dimethylamino)phenyl]-2-(2-fluorophenyl)prop-2-enenitrile
MOLECULAR FORMULA: C17H15FN2
MOLECULAR WEIGHT: 266.312803
SMILES: CN(C)C1=CC=C(C=C1)C=C(C#N)C2=CC=CC=C2F
Structure:
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