CAS RN: 6268-20-8
CAS Name: [4-(diethylamino)phenyl]-(2-methylphenyl)methanone
OPENEYE Name: [4-(diethylamino)phenyl]-(o-tolyl)methanone
IUPAC Name: [4-(diethylamino)phenyl]-(2-methylphenyl)methanone
SYSTEMATIC NAME: [4-(diethylamino)phenyl]-(2-methylphenyl)methanone
MOLECULAR FORMULA: C18H21NO
MOLECULAR WEIGHT: 267.36544
SMILES: CCN(CC)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C
Structure:
CAS RN: 460090-53-3
CAS Name: 1-(2-ethylphenyl)-3-phenylthiourea
OPENEYE Name: 1-(2-ethylphenyl)-3-phenyl-thiourea
IUPAC Name: 1-(2-ethylphenyl)-3-phenylthiourea
SYSTEMATIC NAME: 1-(2-ethylphenyl)-3-phenyl-thiourea
MOLECULAR FORMULA: C15H16N2S
MOLECULAR WEIGHT: 256.36594
SMILES: CCC1=CC=CC=C1NC(=S)NC2=CC=CC=C2
Structure:
CAS RN: 6097-73-0
CAS Name: 1-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-[(E)-3-(3-nitrophenyl)prop-2-enoyl]piperidine-4-carboxylate
IUPAC Name: ethyl 1-[(E)-3-(3-nitrophenyl)prop-2-enoyl]piperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-[(E)-3-(3-nitrophenyl)prop-2-enoyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C17H20N2O5
MOLECULAR WEIGHT: 332.3511
SMILES: CCOC(=O)C1CCN(CC1)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 92407-84-6
CAS Name: 1-[(2-chlorophenyl)methyl]-2-methyl-3-indolecarboxaldehyde
OPENEYE Name: 1-[(2-chlorophenyl)methyl]-2-methyl-indole-3-carbaldehyde
IUPAC Name: 1-[(2-chlorophenyl)methyl]-2-methylindole-3-carbaldehyde
SYSTEMATIC NAME: 1-[(2-chlorophenyl)methyl]-2-methyl-indole-3-carbaldehyde
MOLECULAR FORMULA: C17H14ClNO
MOLECULAR WEIGHT: 283.75216
SMILES: CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3Cl)C=O
Structure:
CAS RN: 55398-86-2
CAS Name: (4-chlorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone
OPENEYE Name: (4-chlorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone
IUPAC Name: (4-chlorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone
SYSTEMATIC NAME: (4-chlorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone
MOLECULAR FORMULA: C16H13ClN2O
MOLECULAR WEIGHT: 284.74022
SMILES: C1CN(C(=N1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 6137-09-3
CAS Name: (E)-3-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)-2-propenamide
OPENEYE Name: (E)-3-phenyl-N-[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
IUPAC Name: (E)-3-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
MOLECULAR FORMULA: C15H11N3OS2
MOLECULAR WEIGHT: 313.39734
SMILES: C1=CC=C(C=C1)/C=C/C(=O)NC2=NN=C(S2)C3=CC=CS3
Structure:
CAS RN: 6138-26-7
CAS Name: 2-[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]benzoic acid
OPENEYE Name: 2-[[(E)-3-(2-furyl)prop-2-enoyl]amino]benzoic acid
IUPAC Name: 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
SYSTEMATIC NAME: 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
MOLECULAR FORMULA: C14H11NO4
MOLECULAR WEIGHT: 257.24144
SMILES: C1=CC=C(C(=C1)C(=O)O)NC(=O)/C=C/C2=CC=CO2
Structure:
CAS RN: 100987-89-1
CAS Name: 5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine
OPENEYE Name: 5-(4-isopropylphenyl)-1,3,4-thiadiazol-2-amine
IUPAC Name: 5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: 5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C11H13N3S
MOLECULAR WEIGHT: 219.30602
SMILES: CC(C)C1=CC=C(C=C1)C2=NN=C(S2)N
Structure:
CAS RN: 6086-26-6
CAS Name: 3-ethoxy-N-(2-phenylphenyl)benzamide
OPENEYE Name: 3-ethoxy-N-(2-phenylphenyl)benzamide
IUPAC Name: 3-ethoxy-N-(2-phenylphenyl)benzamide
SYSTEMATIC NAME: 3-ethoxy-N-(2-phenylphenyl)benzamide
MOLECULAR FORMULA: C21H19NO2
MOLECULAR WEIGHT: 317.38106
SMILES: CCOC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C3=CC=CC=C3
Structure:
CAS RN: 6081-90-9
CAS Name: (E)-3-(2-furanyl)-N-(2-phenylphenyl)-2-propenamide
OPENEYE Name: (E)-3-(2-furyl)-N-(2-phenylphenyl)prop-2-enamide
IUPAC Name: (E)-3-(furan-2-yl)-N-(2-phenylphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(furan-2-yl)-N-(2-phenylphenyl)prop-2-enamide
MOLECULAR FORMULA: C19H15NO2
MOLECULAR WEIGHT: 289.3279
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)/C=C/C3=CC=CO3
Structure:
CAS RN: 340216-58-2
CAS Name: 2-bromo-5-ethoxy-4-hydroxybenzaldehyde
OPENEYE Name: 2-bromo-5-ethoxy-4-hydroxy-benzaldehyde
IUPAC Name: 2-bromo-5-ethoxy-4-hydroxybenzaldehyde
SYSTEMATIC NAME: 2-bromanyl-5-ethoxy-4-oxidanyl-benzaldehyde
MOLECULAR FORMULA: C9H9BrO3
MOLECULAR WEIGHT: 245.06996
SMILES: CCOC1=C(C=C(C(=C1)C=O)Br)O
Structure:
CAS RN: 6063-68-9
CAS Name: N-[bis(4-methoxyphenyl)methyl]formamide
OPENEYE Name: N-[bis(4-methoxyphenyl)methyl]formamide
IUPAC Name: N-[bis(4-methoxyphenyl)methyl]formamide
SYSTEMATIC NAME: N-[bis(4-methoxyphenyl)methyl]methanamide
MOLECULAR FORMULA: C16H17NO3
MOLECULAR WEIGHT: 271.31108
SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC=O
Structure:
CAS RN: 6108-23-2
CAS Name: (Z)-N-(3-bromophenyl)-2-cyano-3-(2-fluorophenyl)-2-propenamide
OPENEYE Name: (Z)-N-(3-bromophenyl)-2-cyano-3-(2-fluorophenyl)prop-2-enamide
IUPAC Name: (Z)-N-(3-bromophenyl)-2-cyano-3-(2-fluorophenyl)prop-2-enamide
SYSTEMATIC NAME: (Z)-N-(3-bromophenyl)-2-cyano-3-(2-fluorophenyl)prop-2-enamide
MOLECULAR FORMULA: C16H10BrFN2O
MOLECULAR WEIGHT: 345.165803
SMILES: C1=CC=C(C(=C1)/C=C(/C#N)\C(=O)NC2=CC(=CC=C2)Br)F
Structure:
CAS RN: 6050-90-4
CAS Name: (E)-3-(3-acetyloxy-1H-indol-2-yl)-2-cyano-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-(3-acetoxy-1H-indol-2-yl)-2-cyano-prop-2-enoate
IUPAC Name: ethyl (E)-3-(3-acetyloxy-1H-indol-2-yl)-2-cyanoprop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-(3-acetyloxy-1H-indol-2-yl)-2-cyano-prop-2-enoate
MOLECULAR FORMULA: C16H14N2O4
MOLECULAR WEIGHT: 298.29336
SMILES: CCOC(=O)/C(=C/C1=C(C2=CC=CC=C2N1)OC(=O)C)/C#N
Structure:
CAS RN: 60893-79-0
CAS Name: 1-(4-methylphenyl)-3-phenylindazole-4,7-dione
OPENEYE Name: 3-phenyl-1-(p-tolyl)indazole-4,7-dione
IUPAC Name: 1-(4-methylphenyl)-3-phenylindazole-4,7-dione
SYSTEMATIC NAME: 1-(4-methylphenyl)-3-phenyl-indazole-4,7-dione
MOLECULAR FORMULA: C20H14N2O2
MOLECULAR WEIGHT: 314.33736
SMILES: CC1=CC=C(C=C1)N2C3=C(C(=O)C=CC3=O)C(=N2)C4=CC=CC=C4
Structure:
CAS RN: 60871-86-5
CAS Name: 1-methylsulfonyl-4-[1-(phenylmethyl)-4-piperidinyl]piperazine
OPENEYE Name: 1-(1-benzyl-4-piperidyl)-4-methylsulfonyl-piperazine
IUPAC Name: 1-(1-benzylpiperidin-4-yl)-4-methylsulfonylpiperazine
SYSTEMATIC NAME: 1-methylsulfonyl-4-[1-(phenylmethyl)piperidin-4-yl]piperazine
MOLECULAR FORMULA: C17H27N3O2S
MOLECULAR WEIGHT: 337.48018
SMILES: CS(=O)(=O)N1CCN(CC1)C2CCN(CC2)CC3=CC=CC=C3
Structure:
CAS RN: 25343-24-2
CAS Name: N-[(2,6-dimethylanilino)-sulfanylidenemethyl]benzamide
OPENEYE Name: N-[(2,6-dimethylphenyl)carbamothioyl]benzamide
IUPAC Name: N-[(2,6-dimethylphenyl)carbamothioyl]benzamide
SYSTEMATIC NAME: N-[(2,6-dimethylphenyl)carbamothioyl]benzamide
MOLECULAR FORMULA: C16H16N2OS
MOLECULAR WEIGHT: 284.37604
SMILES: CC1=C(C(=CC=C1)C)NC(=S)NC(=O)C2=CC=CC=C2
Structure:
CAS RN: 124663-30-5
CAS Name: 4-[(4-formylphenoxy)methyl]benzoic acid methyl ester
OPENEYE Name: methyl 4-[(4-formylphenoxy)methyl]benzoate
IUPAC Name: methyl 4-[(4-formylphenoxy)methyl]benzoate
SYSTEMATIC NAME: methyl 4-[(4-methanoylphenoxy)methyl]benzoate
MOLECULAR FORMULA: C16H14O4
MOLECULAR WEIGHT: 270.27996
SMILES: COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C=O
Structure:
CAS RN: 347331-41-3
CAS Name: 1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolecarboxaldehyde
OPENEYE Name: 1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrole-3-carbaldehyde
IUPAC Name: 1-(4-ethoxyphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
SYSTEMATIC NAME: 1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrole-3-carbaldehyde
MOLECULAR FORMULA: C15H17NO2
MOLECULAR WEIGHT: 243.30098
SMILES: CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C=O)C
Structure:
CAS RN: 5935-70-6
CAS Name: 5-benzoyl-N-(2-methoxyphenyl)-2-furancarboxamide
OPENEYE Name: 5-benzoyl-N-(2-methoxyphenyl)furan-2-carboxamide
IUPAC Name: 5-benzoyl-N-(2-methoxyphenyl)furan-2-carboxamide
SYSTEMATIC NAME: N-(2-methoxyphenyl)-5-(phenylcarbonyl)furan-2-carboxamide
MOLECULAR FORMULA: C19H15NO4
MOLECULAR WEIGHT: 321.3267
SMILES: COC1=CC=CC=C1NC(=O)C2=CC=C(O2)C(=O)C3=CC=CC=C3
Structure:
CAS RN: 6033-67-6
CAS Name: 1-[(3-chlorophenyl)methyl]-4-pentan-3-ylpiperazine
OPENEYE Name: 1-[(3-chlorophenyl)methyl]-4-(1-ethylpropyl)piperazine
IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-pentan-3-ylpiperazine
SYSTEMATIC NAME: 1-[(3-chlorophenyl)methyl]-4-pentan-3-yl-piperazine
MOLECULAR FORMULA: C16H25ClN2
MOLECULAR WEIGHT: 280.8361
SMILES: CCC(CC)N1CCN(CC1)CC2=CC(=CC=C2)Cl
Structure:
CAS RN: 119673-47-1
CAS Name: 2,5-dimethyl-1-(2-methylphenyl)-3-pyrrolecarboxaldehyde
OPENEYE Name: 2,5-dimethyl-1-(o-tolyl)pyrrole-3-carbaldehyde
IUPAC Name: 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbaldehyde
SYSTEMATIC NAME: 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbaldehyde
MOLECULAR FORMULA: C14H15NO
MOLECULAR WEIGHT: 213.275
SMILES: CC1=CC=CC=C1N2C(=CC(=C2C)C=O)C
Structure:
CAS RN: 5979-86-2
CAS Name: [4-[(3-chlorophenyl)-oxomethyl]-1-piperazinyl]-(4-fluorophenyl)methanone
OPENEYE Name: [4-(3-chlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
IUPAC Name: [4-(3-chlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SYSTEMATIC NAME: [4-(3-chlorophenyl)carbonylpiperazin-1-yl]-(4-fluorophenyl)methanone
MOLECULAR FORMULA: C18H16ClFN2O2
MOLECULAR WEIGHT: 346.783243
SMILES: C1CN(CCN1C(=O)C2=CC=C(C=C2)F)C(=O)C3=CC(=CC=C3)Cl
Structure:
CAS RN: 347331-56-0
CAS Name: 1-(3,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolecarboxaldehyde
OPENEYE Name: 1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrole-3-carbaldehyde
IUPAC Name: 1-(3,4-dimethylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
SYSTEMATIC NAME: 1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrole-3-carbaldehyde
MOLECULAR FORMULA: C15H17NO
MOLECULAR WEIGHT: 227.30158
SMILES: CC1=C(C=C(C=C1)N2C(=CC(=C2C)C=O)C)C
Structure:
CAS RN: 6012-61-9
CAS Name: (4E)-4-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
OPENEYE Name: (4E)-4-[(3-ethoxy-2-hydroxy-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione
IUPAC Name: (4E)-4-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
SYSTEMATIC NAME: (4E)-4-[(3-ethoxy-2-oxidanyl-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione
MOLECULAR FORMULA: C18H16N2O4
MOLECULAR WEIGHT: 324.33064
SMILES: CCOC1=CC=CC(=C1O)/C=C/2\C(=O)NN(C2=O)C3=CC=CC=C3
Structure:
CAS RN: 6012-25-5
CAS Name: 2-[(1-methyl-2-imidazolyl)thio]-1-(4-phenylphenyl)ethanone
OPENEYE Name: 2-(1-methylimidazol-2-yl)sulfanyl-1-(4-phenylphenyl)ethanone
IUPAC Name: 2-(1-methylimidazol-2-yl)sulfanyl-1-(4-phenylphenyl)ethanone
SYSTEMATIC NAME: 2-(1-methylimidazol-2-yl)sulfanyl-1-(4-phenylphenyl)ethanone
MOLECULAR FORMULA: C18H16N2OS
MOLECULAR WEIGHT: 308.39744
SMILES: CN1C=CN=C1SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3
Structure:
CAS RN: 423749-16-0
CAS Name: 2,5-dimethyl-1-(3-methylphenyl)-3-pyrrolecarboxaldehyde
OPENEYE Name: 2,5-dimethyl-1-(m-tolyl)pyrrole-3-carbaldehyde
IUPAC Name: 2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbaldehyde
SYSTEMATIC NAME: 2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carbaldehyde
MOLECULAR FORMULA: C14H15NO
MOLECULAR WEIGHT: 213.275
SMILES: CC1=CC(=CC=C1)N2C(=CC(=C2C)C=O)C
Structure:
CAS RN: 59778-10-8
CAS Name: (E)-2-cyano-3-[5-(dimethylamino)-2-furanyl]-N-(3,4-dimethylphenyl)-2-propenamide
OPENEYE Name: (E)-2-cyano-3-[5-(dimethylamino)-2-furyl]-N-(3,4-dimethylphenyl)prop-2-enamide
IUPAC Name: (E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-(3,4-dimethylphenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-2-cyano-3-[5-(dimethylamino)furan-2-yl]-N-(3,4-dimethylphenyl)prop-2-enamide
MOLECULAR FORMULA: C18H19N3O2
MOLECULAR WEIGHT: 309.36236
SMILES: CC1=C(C=C(C=C1)NC(=O)/C(=C/C2=CC=C(O2)N(C)C)/C#N)C
Structure:
CAS RN: 59733-97-0
CAS Name: 1-(4-nitrophenyl)-3-[3-(trifluoromethyl)anilino]-1-propanone
OPENEYE Name: 1-(4-nitrophenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one
IUPAC Name: 1-(4-nitrophenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one
SYSTEMATIC NAME: 1-(4-nitrophenyl)-3-[[3-(trifluoromethyl)phenyl]amino]propan-1-one
MOLECULAR FORMULA: C16H13F3N2O3
MOLECULAR WEIGHT: 338.28123
SMILES: C1=CC(=CC(=C1)NCCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F
Structure:
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