CAS RN: 10542-87-7
CAS Name: (E)-4-(2-methoxyphenyl)-3-buten-2-one
OPENEYE Name: (E)-4-(2-methoxyphenyl)but-3-en-2-one
IUPAC Name: (E)-4-(2-methoxyphenyl)but-3-en-2-one
SYSTEMATIC NAME: (E)-4-(2-methoxyphenyl)but-3-en-2-one
MOLECULAR FORMULA: C11H12O2
MOLECULAR WEIGHT: 176.21178
SMILES: CC(=O)/C=C/C1=CC=CC=C1OC
Structure:
CAS RN: 60438-50-8
CAS Name: (E)-4-(2-methoxyphenyl)-3-buten-2-one
OPENEYE Name: (E)-4-(2-methoxyphenyl)but-3-en-2-one
IUPAC Name: (E)-4-(2-methoxyphenyl)but-3-en-2-one
SYSTEMATIC NAME: (E)-4-(2-methoxyphenyl)but-3-en-2-one
MOLECULAR FORMULA: C11H12O2
MOLECULAR WEIGHT: 176.21178
SMILES: CC(=O)/C=C/C1=CC=CC=C1OC
Structure:
CAS RN: 2740-95-6
CAS Name: 1,3-dimethyl-1-phenylthiourea
OPENEYE Name: 1,3-dimethyl-1-phenyl-thiourea
IUPAC Name: 1,3-dimethyl-1-phenylthiourea
SYSTEMATIC NAME: 1,3-dimethyl-1-phenyl-thiourea
MOLECULAR FORMULA: C9H12N2S
MOLECULAR WEIGHT: 180.26998
SMILES: CNC(=S)N(C)C1=CC=CC=C1
Structure:
CAS RN: 74101-13-6
CAS Name: 5-(4-methoxyphenyl)-2-(4-phenyl-2-thiazolyl)-3-pyrazolamine
OPENEYE Name: 5-(4-methoxyphenyl)-2-(4-phenylthiazol-2-yl)pyrazol-3-amine
IUPAC Name: 5-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-amine
SYSTEMATIC NAME: 5-(4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-amine
MOLECULAR FORMULA: C19H16N4OS
MOLECULAR WEIGHT: 348.42154
SMILES: COC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=NC(=CS3)C4=CC=CC=C4
Structure:
CAS RN: 143141-23-5
CAS Name: 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine
OPENEYE Name: 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine
IUPAC Name: 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine
SYSTEMATIC NAME: 1-(phenylsulfonyl)pyrrolo[2,3-b]pyridine
MOLECULAR FORMULA: C13H10N2O2S
MOLECULAR WEIGHT: 258.2957
SMILES: C1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2N=CC=C3
Structure:
CAS RN: 41202-77-1
CAS Name: 1-(2,3-dichlorophenyl)piperazine
OPENEYE Name: 1-(2,3-dichlorophenyl)piperazine
IUPAC Name: 1-(2,3-dichlorophenyl)piperazine
SYSTEMATIC NAME: 1-[2,3-bis(chloranyl)phenyl]piperazine
MOLECULAR FORMULA: C10H12Cl2N2
MOLECULAR WEIGHT: 231.12168
SMILES: C1CN(CCN1)C2=C(C(=CC=C2)Cl)Cl
Structure:
CAS RN: 119532-26-2
CAS Name: 1-(2,3-dichlorophenyl)piperazine
OPENEYE Name: 1-(2,3-dichlorophenyl)piperazine
IUPAC Name: 1-(2,3-dichlorophenyl)piperazine
SYSTEMATIC NAME: 1-[2,3-bis(chloranyl)phenyl]piperazine
MOLECULAR FORMULA: C10H12Cl2N2
MOLECULAR WEIGHT: 231.12168
SMILES: C1CN(CCN1)C2=C(C(=CC=C2)Cl)Cl
Structure:
CAS RN: 58432-25-0
CAS Name: 4-(phenoxymethyl)-1-phenyltriazole
OPENEYE Name: 4-(phenoxymethyl)-1-phenyl-triazole
IUPAC Name: 4-(phenoxymethyl)-1-phenyltriazole
SYSTEMATIC NAME: 4-(phenoxymethyl)-1-phenyl-1,2,3-triazole
MOLECULAR FORMULA: C15H13N3O
MOLECULAR WEIGHT: 251.28322
SMILES: C1=CC=C(C=C1)N2C=C(N=N2)COC3=CC=CC=C3
Structure:
CAS RN: 75737-39-2
CAS Name: N-[(3-methoxyphenyl)methyl]-7H-purin-6-amine
OPENEYE Name: N-[(3-methoxyphenyl)methyl]-7H-purin-6-amine
IUPAC Name: N-[(3-methoxyphenyl)methyl]-7H-purin-6-amine
SYSTEMATIC NAME: N-[(3-methoxyphenyl)methyl]-7H-purin-6-amine
MOLECULAR FORMULA: C13H13N5O
MOLECULAR WEIGHT: 255.27522
SMILES: COC1=CC=CC(=C1)CNC2=NC=NC3=C2NC=N3
Structure:
CAS RN: 63675-74-1
CAS Name: 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene
OPENEYE Name: 6-methoxy-2-(4-methoxyphenyl)benzothiophene
IUPAC Name: 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene
SYSTEMATIC NAME: 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene
MOLECULAR FORMULA: C16H14O2S
MOLECULAR WEIGHT: 270.34616
SMILES: COC1=CC=C(C=C1)C2=CC3=C(S2)C=C(C=C3)OC
Structure:
CAS RN: 93073-21-3
CAS Name: 6-(4-chlorophenyl)-3-(phenylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
OPENEYE Name: 3-benzyl-6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
IUPAC Name: 3-benzyl-6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SYSTEMATIC NAME: 6-(4-chlorophenyl)-3-(phenylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
MOLECULAR FORMULA: C16H11ClN4S
MOLECULAR WEIGHT: 326.80334
SMILES: C1=CC=C(C=C1)CC2=NN=C3N2N=C(S3)C4=CC=C(C=C4)Cl
Structure:
CAS RN: 139756-01-7
CAS Name: 4-[[(2-ethoxyphenyl)-oxomethyl]amino]-2-methyl-5-propyl-3-pyrazolecarboxamide
OPENEYE Name: 4-[(2-ethoxybenzoyl)amino]-2-methyl-5-propyl-pyrazole-3-carboxamide
IUPAC Name: 4-[(2-ethoxybenzoyl)amino]-2-methyl-5-propylpyrazole-3-carboxamide
SYSTEMATIC NAME: 4-[(2-ethoxyphenyl)carbonylamino]-2-methyl-5-propyl-pyrazole-3-carboxamide
MOLECULAR FORMULA: C17H22N4O3
MOLECULAR WEIGHT: 330.38158
SMILES: CCCC1=NN(C(=C1NC(=O)C2=CC=CC=C2OCC)C(=O)N)C
Structure:
CAS RN: 139756-03-9
CAS Name: 4-[[(2-ethoxyphenyl)-oxomethyl]amino]-2-methyl-5-propyl-3-pyrazolecarboxamide
OPENEYE Name: 4-[(2-ethoxybenzoyl)amino]-2-methyl-5-propyl-pyrazole-3-carboxamide
IUPAC Name: 4-[(2-ethoxybenzoyl)amino]-2-methyl-5-propylpyrazole-3-carboxamide
SYSTEMATIC NAME: 4-[(2-ethoxyphenyl)carbonylamino]-2-methyl-5-propyl-pyrazole-3-carboxamide
MOLECULAR FORMULA: C17H22N4O3
MOLECULAR WEIGHT: 330.38158
SMILES: CCCC1=NN(C(=C1NC(=O)C2=CC=CC=C2OCC)C(=O)N)C
Structure:
CAS RN: 6472-33-9
CAS Name: 3-(1,3-benzothiazol-2-yl)-6-chloro-2-methyl-4-quinazolinone
OPENEYE Name: 3-(1,3-benzothiazol-2-yl)-6-chloro-2-methyl-quinazolin-4-one
IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-chloro-2-methylquinazolin-4-one
SYSTEMATIC NAME: 3-(1,3-benzothiazol-2-yl)-6-chloranyl-2-methyl-quinazolin-4-one
MOLECULAR FORMULA: C16H10ClN3OS
MOLECULAR WEIGHT: 327.7881
SMILES: CC1=NC2=C(C=C(C=C2)Cl)C(=O)N1C3=NC4=CC=CC=C4S3
Structure:
CAS RN: 6512-64-7
CAS Name: N-(5-chloro-2-methoxyphenyl)-4-phenyl-2-thiazolamine
OPENEYE Name: N-(5-chloro-2-methoxy-phenyl)-4-phenyl-thiazol-2-amine
IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-phenyl-1,3-thiazol-2-amine
SYSTEMATIC NAME: N-(5-chloranyl-2-methoxy-phenyl)-4-phenyl-1,3-thiazol-2-amine
MOLECULAR FORMULA: C16H13ClN2OS
MOLECULAR WEIGHT: 316.80522
SMILES: COC1=C(C=C(C=C1)Cl)NC2=NC(=CS2)C3=CC=CC=C3
Structure:
CAS RN: 84163-77-9
CAS Name: 6-fluoro-3-(4-piperidinyl)-1,2-benzoxazole
OPENEYE Name: 6-fluoro-3-(4-piperidyl)-1,2-benzoxazole
IUPAC Name: 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole
SYSTEMATIC NAME: 6-fluoranyl-3-piperidin-4-yl-1,2-benzoxazole
MOLECULAR FORMULA: C12H13FN2O
MOLECULAR WEIGHT: 220.242823
SMILES: C1CNCCC1C2=NOC3=C2C=CC(=C3)F
Structure:
CAS RN: 28533-44-0
CAS Name: 3-[(2-methyl-1-oxopropyl)amino]benzoic acid
OPENEYE Name: 3-(2-methylpropanoylamino)benzoic acid
IUPAC Name: 3-(2-methylpropanoylamino)benzoic acid
SYSTEMATIC NAME: 3-(2-methylpropanoylamino)benzoic acid
MOLECULAR FORMULA: C11H13NO3
MOLECULAR WEIGHT: 207.22582
SMILES: CC(C)C(=O)NC1=CC=CC(=C1)C(=O)O
Structure:
CAS RN: 5813-69-4
CAS Name: 2-(4-chlorophenyl)-N-(2-ethoxyphenyl)acetamide
OPENEYE Name: 2-(4-chlorophenyl)-N-(2-ethoxyphenyl)acetamide
IUPAC Name: 2-(4-chlorophenyl)-N-(2-ethoxyphenyl)acetamide
SYSTEMATIC NAME: 2-(4-chlorophenyl)-N-(2-ethoxyphenyl)ethanamide
MOLECULAR FORMULA: C16H16ClNO2
MOLECULAR WEIGHT: 289.75674
SMILES: CCOC1=CC=CC=C1NC(=O)CC2=CC=C(C=C2)Cl
Structure:
CAS RN: 55814-38-5
CAS Name: N-(3-ethoxyphenyl)-2-methylbenzamide
OPENEYE Name: N-(3-ethoxyphenyl)-2-methyl-benzamide
IUPAC Name: N-(3-ethoxyphenyl)-2-methylbenzamide
SYSTEMATIC NAME: N-(3-ethoxyphenyl)-2-methyl-benzamide
MOLECULAR FORMULA: C16H17NO2
MOLECULAR WEIGHT: 255.31168
SMILES: CCOC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C
Structure:
CAS RN: 5723-39-7
CAS Name: 1-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-phenylthiourea
OPENEYE Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-phenyl-thiourea
IUPAC Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-phenylthiourea
SYSTEMATIC NAME: 1-[2-(benzotriazol-1-yl)ethanoylamino]-3-phenyl-thiourea
MOLECULAR FORMULA: C15H14N6OS
MOLECULAR WEIGHT: 326.37626
SMILES: C1=CC=C(C=C1)NC(=S)NNC(=O)CN2C3=CC=CC=C3N=N2
Structure:
CAS RN: 21487-48-9
CAS Name: 3-methyl-1-phenyl-4-pyrazolecarboxaldehyde
OPENEYE Name: 3-methyl-1-phenyl-pyrazole-4-carbaldehyde
IUPAC Name: 3-methyl-1-phenylpyrazole-4-carbaldehyde
SYSTEMATIC NAME: 3-methyl-1-phenyl-pyrazole-4-carbaldehyde
MOLECULAR FORMULA: C11H10N2O
MOLECULAR WEIGHT: 186.2099
SMILES: CC1=NN(C=C1C=O)C2=CC=CC=C2
Structure:
CAS RN: 93073-20-2
CAS Name: 6-phenyl-3-(phenylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
OPENEYE Name: 3-benzyl-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
IUPAC Name: 3-benzyl-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SYSTEMATIC NAME: 6-phenyl-3-(phenylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
MOLECULAR FORMULA: C16H12N4S
MOLECULAR WEIGHT: 292.35828
SMILES: C1=CC=C(C=C1)CC2=NN=C3N2N=C(S3)C4=CC=CC=C4
Structure:
CAS RN: 91973-74-9
CAS Name: N-(4-formyl-2-thiazolyl)-N-phenylacetamide
OPENEYE Name: N-(4-formylthiazol-2-yl)-N-phenyl-acetamide
IUPAC Name: N-(4-formyl-1,3-thiazol-2-yl)-N-phenylacetamide
SYSTEMATIC NAME: N-(4-methanoyl-1,3-thiazol-2-yl)-N-phenyl-ethanamide
MOLECULAR FORMULA: C12H10N2O2S
MOLECULAR WEIGHT: 246.285
SMILES: CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)C=O
Structure:
CAS RN: 16381-50-3
CAS Name: 5-methoxy-3-methyl-1H-indole-2-carboxylic acid
OPENEYE Name: 5-methoxy-3-methyl-1H-indole-2-carboxylic acid
IUPAC Name: 5-methoxy-3-methyl-1H-indole-2-carboxylic acid
SYSTEMATIC NAME: 5-methoxy-3-methyl-1H-indole-2-carboxylic acid
MOLECULAR FORMULA: C11H11NO3
MOLECULAR WEIGHT: 205.20994
SMILES: CC1=C(NC2=C1C=C(C=C2)OC)C(=O)O
Structure:
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