CAS RN: 5219-07-8
CAS Name: (2S)-2-(4-chlorophenyl)-3-oxobutanenitrile
OPENEYE Name: (2S)-2-(4-chlorophenyl)-3-oxo-butanenitrile
IUPAC Name: (2S)-2-(4-chlorophenyl)-3-oxobutanenitrile
SYSTEMATIC NAME: (2S)-2-(4-chlorophenyl)-3-oxidanylidene-butanenitrile
MOLECULAR FORMULA: C10H8ClNO
MOLECULAR WEIGHT: 193.62962
SMILES: CC(=O)[C@H](C#N)C1=CC=C(C=C1)Cl
Structure:
CAS RN: 5250-12-4
CAS Name: (2R)-2-(4-chlorophenyl)-3-oxobutanenitrile
OPENEYE Name: (2R)-2-(4-chlorophenyl)-3-oxo-butanenitrile
IUPAC Name: (2R)-2-(4-chlorophenyl)-3-oxobutanenitrile
SYSTEMATIC NAME: (2R)-2-(4-chlorophenyl)-3-oxidanylidene-butanenitrile
MOLECULAR FORMULA: C10H8ClNO
MOLECULAR WEIGHT: 193.62962
SMILES: CC(=O)[C@@H](C#N)C1=CC=C(C=C1)Cl
Structure:
CAS RN: 5219-07-8
CAS Name: (2R)-2-(4-chlorophenyl)-3-oxobutanenitrile
OPENEYE Name: (2R)-2-(4-chlorophenyl)-3-oxo-butanenitrile
IUPAC Name: (2R)-2-(4-chlorophenyl)-3-oxobutanenitrile
SYSTEMATIC NAME: (2R)-2-(4-chlorophenyl)-3-oxidanylidene-butanenitrile
MOLECULAR FORMULA: C10H8ClNO
MOLECULAR WEIGHT: 193.62962
SMILES: CC(=O)[C@@H](C#N)C1=CC=C(C=C1)Cl
Structure:
CAS RN: 4834-07-5
CAS Name: N-[(2,4-dichlorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
OPENEYE Name: N-[(2,4-dichlorophenyl)methyleneamino]-5-methyl-1H-pyrazole-3-carboxamide
IUPAC Name: N-[(2,4-dichlorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SYSTEMATIC NAME: N-[(2,4-dichlorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
MOLECULAR FORMULA: C12H10Cl2N4O
MOLECULAR WEIGHT: 297.14
SMILES: CC1=CC(=NN1)C(=O)NN=CC2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 15831-10-4
CAS Name: (E)-4,4-dimethyl-1-(4-nitrophenyl)-1-penten-3-one
OPENEYE Name: (E)-4,4-dimethyl-1-(4-nitrophenyl)pent-1-en-3-one
IUPAC Name: (E)-4,4-dimethyl-1-(4-nitrophenyl)pent-1-en-3-one
SYSTEMATIC NAME: (E)-4,4-dimethyl-1-(4-nitrophenyl)pent-1-en-3-one
MOLECULAR FORMULA: C13H15NO3
MOLECULAR WEIGHT: 233.2631
SMILES: CC(C)(C)C(=O)/C=C/C1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 59112-88-8
CAS Name: 1-[(2-methoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
OPENEYE Name: 1-[(2-methoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
IUPAC Name: 1-[(2-methoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
SYSTEMATIC NAME: 1-[(2-methoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
MOLECULAR FORMULA: C20H26N2O2
MOLECULAR WEIGHT: 326.43264
SMILES: COC1=CC=CC(=C1)CN2CCN(CC2)CC3=CC=CC=C3OC
Structure:
CAS RN: 5646-98-0
CAS Name: 5,7-diphenyl-2-pyrazolo[1,5-a]pyrimidinecarboxylic acid
OPENEYE Name: 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
IUPAC Name: 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SYSTEMATIC NAME: 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
MOLECULAR FORMULA: C19H13N3O2
MOLECULAR WEIGHT: 315.32542
SMILES: C1=CC=C(C=C1)C2=CC(=NC3=CC(=NN23)C(=O)O)C4=CC=CC=C4
Structure:
CAS RN: 5304-13-2
CAS Name: 3-(4-ethoxyphenyl)-1,1-dimethylthiourea
OPENEYE Name: 3-(4-ethoxyphenyl)-1,1-dimethyl-thiourea
IUPAC Name: 3-(4-ethoxyphenyl)-1,1-dimethylthiourea
SYSTEMATIC NAME: 3-(4-ethoxyphenyl)-1,1-dimethyl-thiourea
MOLECULAR FORMULA: C11H16N2OS
MOLECULAR WEIGHT: 224.32254
SMILES: CCOC1=CC=C(C=C1)NC(=S)N(C)C
Structure:
CAS RN: 68109-89-7
CAS Name: 3-[(E)-2-(dimethylamino)ethenyl]-2-nitrobenzoic acid methyl ester
OPENEYE Name: methyl 3-[(E)-2-(dimethylamino)vinyl]-2-nitro-benzoate
IUPAC Name: methyl 3-[(E)-2-(dimethylamino)ethenyl]-2-nitrobenzoate
SYSTEMATIC NAME: methyl 3-[(E)-2-(dimethylamino)ethenyl]-2-nitro-benzoate
MOLECULAR FORMULA: C12H14N2O4
MOLECULAR WEIGHT: 250.25056
SMILES: CN(C)/C=C/C1=C(C(=CC=C1)C(=O)OC)[N+](=O)[O-]
Structure:
CAS RN: 351015-73-1
CAS Name: 2-(3-formyl-1-indolyl)acetic acid methyl ester
OPENEYE Name: methyl 2-(3-formylindol-1-yl)acetate
IUPAC Name: methyl 2-(3-formylindol-1-yl)acetate
SYSTEMATIC NAME: methyl 2-(3-methanoylindol-1-yl)ethanoate
MOLECULAR FORMULA: C12H11NO3
MOLECULAR WEIGHT: 217.22064
SMILES: COC(=O)CN1C=C(C2=CC=CC=C21)C=O
Structure:
CAS RN: 138423-98-0
CAS Name: 2-(3-formyl-1-indolyl)acetic acid
OPENEYE Name: 2-(3-formylindol-1-yl)acetic acid
IUPAC Name: 2-(3-formylindol-1-yl)acetic acid
SYSTEMATIC NAME: 2-(3-methanoylindol-1-yl)ethanoic acid
MOLECULAR FORMULA: C11H9NO3
MOLECULAR WEIGHT: 203.19406
SMILES: C1=CC=C2C(=C1)C(=CN2CC(=O)O)C=O
Structure:
CAS RN: 39221-42-6
CAS Name: 2-(3-oxo-1H-isoindol-2-yl)acetic acid
OPENEYE Name: 2-(1-oxoisoindolin-2-yl)acetic acid
IUPAC Name: 2-(3-oxo-1H-isoindol-2-yl)acetic acid
SYSTEMATIC NAME: 2-(3-oxidanylidene-1H-isoindol-2-yl)ethanoic acid
MOLECULAR FORMULA: C10H9NO3
MOLECULAR WEIGHT: 191.18336
SMILES: C1C2=CC=CC=C2C(=O)N1CC(=O)O
Structure:
CAS RN: 40133-06-0
CAS Name: 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid
OPENEYE Name: 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid
IUPAC Name: 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid
SYSTEMATIC NAME: 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid
MOLECULAR FORMULA: C8H8O2S
MOLECULAR WEIGHT: 168.21292
SMILES: C1CC2=C(C1)SC(=C2)C(=O)O
Structure:
CAS RN: 313981-55-4
CAS Name: 2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
OPENEYE Name: 2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
IUPAC Name: 2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
SYSTEMATIC NAME: 2,4,6-trimethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
MOLECULAR FORMULA: C16H16F3NO2S
MOLECULAR WEIGHT: 343.36395
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC=C2C(F)(F)F)C
Structure:
CAS RN: 102292-50-2
CAS Name: 1-[(2,6-dichlorophenyl)methyl]piperazine
OPENEYE Name: 1-[(2,6-dichlorophenyl)methyl]piperazine
IUPAC Name: 1-[(2,6-dichlorophenyl)methyl]piperazine
SYSTEMATIC NAME: 1-[[2,6-bis(chloranyl)phenyl]methyl]piperazine
MOLECULAR FORMULA: C11H14Cl2N2
MOLECULAR WEIGHT: 245.14826
SMILES: C1CN(CCN1)CC2=C(C=CC=C2Cl)Cl
Structure:
CAS RN: 126208-61-5
CAS Name: 5-tert-butyl-2-phenyl-3-pyrazolamine
OPENEYE Name: 5-tert-butyl-2-phenyl-pyrazol-3-amine
IUPAC Name: 5-tert-butyl-2-phenylpyrazol-3-amine
SYSTEMATIC NAME: 5-tert-butyl-2-phenyl-pyrazol-3-amine
MOLECULAR FORMULA: C13H17N3
MOLECULAR WEIGHT: 215.29418
SMILES: CC(C)(C)C1=NN(C(=C1)N)C2=CC=CC=C2
Structure:
CAS RN: 16233-08-2
CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]piperazine
OPENEYE Name: 1-[3,5-bis(trifluoromethyl)phenyl]piperazine
IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]piperazine
SYSTEMATIC NAME: 1-[3,5-bis(trifluoromethyl)phenyl]piperazine
MOLECULAR FORMULA: C12H12F6N2
MOLECULAR WEIGHT: 298.227499
SMILES: C1CN(CCN1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
Structure:
CAS RN: 51784-03-3
CAS Name: 2-(4-piperidinyl)-1,3-benzoxazole
OPENEYE Name: 2-(4-piperidyl)-1,3-benzoxazole
IUPAC Name: 2-piperidin-4-yl-1,3-benzoxazole
SYSTEMATIC NAME: 2-piperidin-4-yl-1,3-benzoxazole
MOLECULAR FORMULA: C12H14N2O
MOLECULAR WEIGHT: 202.25236
SMILES: C1CNCCC1C2=NC3=CC=CC=C3O2
Structure:
CAS RN: 4592-94-3
CAS Name: 3-(4-bromophenyl)-3-oxopropanenitrile
OPENEYE Name: 3-(4-bromophenyl)-3-oxo-propanenitrile
IUPAC Name: 3-(4-bromophenyl)-3-oxopropanenitrile
SYSTEMATIC NAME: 3-(4-bromophenyl)-3-oxidanylidene-propanenitrile
MOLECULAR FORMULA: C9H6BrNO
MOLECULAR WEIGHT: 224.05404
SMILES: C1=CC(=CC=C1C(=O)CC#N)Br
Structure:
CAS RN: 39947-94-9
CAS Name: 1-piperazinyl(3-pyridinyl)methanone
OPENEYE Name: piperazin-1-yl(3-pyridyl)methanone
IUPAC Name: piperazin-1-yl(pyridin-3-yl)methanone
SYSTEMATIC NAME: piperazin-1-yl(pyridin-3-yl)methanone
MOLECULAR FORMULA: C10H13N3O
MOLECULAR WEIGHT: 191.22972
SMILES: C1CN(CCN1)C(=O)C2=CN=CC=C2
Structure:
CAS RN: 335215-56-0
CAS Name: 4-ethyl-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-ethyl-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-ethyl-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-ethyl-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C12H15N3OS
MOLECULAR WEIGHT: 249.332
SMILES: CCN1C(=NNC1=S)COC2=CC=C(C=C2)C
Structure:
CAS RN: 3139-28-4
CAS Name: 4-(thiophen-2-ylmethylamino)phenol
OPENEYE Name: 4-(2-thienylmethylamino)phenol
IUPAC Name: 4-(thiophen-2-ylmethylamino)phenol
SYSTEMATIC NAME: 4-(thiophen-2-ylmethylamino)phenol
MOLECULAR FORMULA: C11H11NOS
MOLECULAR WEIGHT: 205.27614
SMILES: C1=CSC(=C1)CNC2=CC=C(C=C2)O
Structure:
CAS RN: 1134-82-3
CAS Name: 5-methyl-2-(phenylmethyl)-3-pyrazolamine
OPENEYE Name: 2-benzyl-5-methyl-pyrazol-3-amine
IUPAC Name: 2-benzyl-5-methylpyrazol-3-amine
SYSTEMATIC NAME: 5-methyl-2-(phenylmethyl)pyrazol-3-amine
MOLECULAR FORMULA: C11H13N3
MOLECULAR WEIGHT: 187.24102
SMILES: CC1=NN(C(=C1)N)CC2=CC=CC=C2
Structure:
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