CAS RN: 21269-61-4
CAS Name: 3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one
OPENEYE Name: 3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one
IUPAC Name: 3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one
SYSTEMATIC NAME: 3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one
MOLECULAR FORMULA: C16H18N2O
MOLECULAR WEIGHT: 254.32692
SMILES: CC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC=CC=C3
Structure:
CAS RN: 56617-43-7
CAS Name: 1-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid
OPENEYE Name: 1-(4-fluorophenyl)-5-oxo-pyrrolidine-3-carboxylic acid
IUPAC Name: 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: 1-(4-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C11H10FNO3
MOLECULAR WEIGHT: 223.200403
SMILES: C1C(CN(C1=O)C2=CC=C(C=C2)F)C(=O)O
Structure:
CAS RN: 56617-44-8
CAS Name: 1-(2-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid
OPENEYE Name: 1-(o-tolyl)-5-oxo-pyrrolidine-3-carboxylic acid
IUPAC Name: 1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: 1-(2-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C12H13NO3
MOLECULAR WEIGHT: 219.23652
SMILES: CC1=CC=CC=C1N2CC(CC2=O)C(=O)O
Structure:
CAS RN: 56617-45-9
CAS Name: 1-(3-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid
OPENEYE Name: 1-(m-tolyl)-5-oxo-pyrrolidine-3-carboxylic acid
IUPAC Name: 1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: 1-(3-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C12H13NO3
MOLECULAR WEIGHT: 219.23652
SMILES: CC1=CC(=CC=C1)N2CC(CC2=O)C(=O)O
Structure:
CAS RN: 5087-78-5
CAS Name: 6-amino-4-(5-methyl-2-thiophenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
OPENEYE Name: 6-amino-4-(5-methyl-2-thienyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
IUPAC Name: 6-amino-4-(5-methylthiophen-2-yl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SYSTEMATIC NAME: 6-azanyl-4-(5-methylthiophen-2-yl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
MOLECULAR FORMULA: C18H14N4OS
MOLECULAR WEIGHT: 334.39496
SMILES: CC1=CC=C(S1)C2C(=C(OC3=NNC(=C23)C4=CC=CC=C4)N)C#N
Structure:
CAS RN: 4388-68-5
CAS Name: 2-[[2-[[(4-butoxyphenyl)-oxomethyl]amino]-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]propanoic acid
OPENEYE Name: 2-[[2-[(4-butoxybenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]propanoic acid
IUPAC Name: 2-[[2-[(4-butoxybenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]propanoic acid
SYSTEMATIC NAME: 2-[[2-[(4-butoxyphenyl)carbonylamino]-3-(4-nitrophenyl)prop-2-enoyl]amino]propanoic acid
MOLECULAR FORMULA: C23H25N3O7
MOLECULAR WEIGHT: 455.4605
SMILES: CCCCOC1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC(C)C(=O)O
Structure:
CAS RN: 6654-22-4
CAS Name: 2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-(4-methoxyphenyl)ethanone
OPENEYE Name: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-methoxyphenyl)ethanone
IUPAC Name: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-methoxyphenyl)ethanone
SYSTEMATIC NAME: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-methoxyphenyl)ethanone
MOLECULAR FORMULA: C17H16N2O2S2
MOLECULAR WEIGHT: 344.45114
SMILES: CC1=C(SC2=C1C(=NC=N2)SCC(=O)C3=CC=C(C=C3)OC)C
Structure:
CAS RN: 24718-72-7
CAS Name: 1,1-diethyl-3-(4-nitrophenyl)thiourea
OPENEYE Name: 1,1-diethyl-3-(4-nitrophenyl)thiourea
IUPAC Name: 1,1-diethyl-3-(4-nitrophenyl)thiourea
SYSTEMATIC NAME: 1,1-diethyl-3-(4-nitrophenyl)thiourea
MOLECULAR FORMULA: C11H15N3O2S
MOLECULAR WEIGHT: 253.3207
SMILES: CCN(CC)C(=S)NC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 6637-54-3
CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzamide
OPENEYE Name: 4-(4-methyl-1-piperidyl)-3-nitro-benzamide
IUPAC Name: 4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
SYSTEMATIC NAME: 4-(4-methylpiperidin-1-yl)-3-nitro-benzamide
MOLECULAR FORMULA: C13H17N3O3
MOLECULAR WEIGHT: 263.29238
SMILES: CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]
Structure:
CAS RN: 6636-64-2
CAS Name: 2,6-dimethoxy-4-[3-[(4-methylphenyl)methylthio]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
OPENEYE Name: 2,6-dimethoxy-4-[3-(p-tolylmethylsulfanyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
IUPAC Name: 2,6-dimethoxy-4-[3-[(4-methylphenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
SYSTEMATIC NAME: 2,6-dimethoxy-4-[3-[(4-methylphenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
MOLECULAR FORMULA: C26H24N4O4S
MOLECULAR WEIGHT: 488.55816
SMILES: CC1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4NC(O3)C5=CC(=C(C(=C5)OC)O)OC)N=N2
Structure:
CAS RN: 6636-37-9
CAS Name: 7-[(3-hydroxyphenyl)-[(6-methyl-2-pyridinyl)amino]methyl]-2-methyl-8-quinolinol
OPENEYE Name: 7-[(3-hydroxyphenyl)-[(6-methyl-2-pyridyl)amino]methyl]-2-methyl-quinolin-8-ol
IUPAC Name: 7-[(3-hydroxyphenyl)-[(6-methylpyridin-2-yl)amino]methyl]-2-methylquinolin-8-ol
SYSTEMATIC NAME: 7-[(3-hydroxyphenyl)-[(6-methylpyridin-2-yl)amino]methyl]-2-methyl-quinolin-8-ol
MOLECULAR FORMULA: C23H21N3O2
MOLECULAR WEIGHT: 371.43174
SMILES: CC1=NC(=CC=C1)NC(C2=CC(=CC=C2)O)C3=C(C4=C(C=CC(=N4)C)C=C3)O
Structure:
CAS RN: 6633-53-0
CAS Name: 2-methyl-7-[(4-phenylmethoxyphenyl)-(2-pyridinylamino)methyl]-8-quinolinol
OPENEYE Name: 7-[(4-benzyloxyphenyl)-(2-pyridylamino)methyl]-2-methyl-quinolin-8-ol
IUPAC Name: 2-methyl-7-[(4-phenylmethoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
SYSTEMATIC NAME: 2-methyl-7-[(4-phenylmethoxyphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
MOLECULAR FORMULA: C29H25N3O2
MOLECULAR WEIGHT: 447.5277
SMILES: CC1=NC2=C(C=C1)C=CC(=C2O)C(C3=CC=C(C=C3)OCC4=CC=CC=C4)NC5=CC=CC=N5
Structure:
CAS RN: 6633-44-9
CAS Name: 3-[(4-methylphenyl)methylthio]-6-(6-methyl-2-pyridinyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
OPENEYE Name: 6-(6-methyl-2-pyridyl)-3-(p-tolylmethylsulfanyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
IUPAC Name: 3-[(4-methylphenyl)methylsulfanyl]-6-(6-methylpyridin-2-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
SYSTEMATIC NAME: 3-[(4-methylphenyl)methylsulfanyl]-6-(6-methylpyridin-2-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
MOLECULAR FORMULA: C24H21N5OS
MOLECULAR WEIGHT: 427.52144
SMILES: CC1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4NC(O3)C5=NC(=CC=C5)C)N=N2
Structure:
CAS RN: 328020-19-5
CAS Name: 2-(2-chlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone
OPENEYE Name: 2-(2-chlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone
IUPAC Name: 2-(2-chlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone
SYSTEMATIC NAME: 2-(2-chlorophenyl)-1-[2,3,4-tris(oxidanyl)phenyl]ethanone
MOLECULAR FORMULA: C14H11ClO4
MOLECULAR WEIGHT: 278.68774
SMILES: C1=CC=C(C(=C1)CC(=O)C2=C(C(=C(C=C2)O)O)O)Cl
Structure:
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