CAS RN: 365-12-8
CAS Name: 4-(2-fluorophenyl)benzoic acid
OPENEYE Name: 4-(2-fluorophenyl)benzoic acid
IUPAC Name: 4-(2-fluorophenyl)benzoic acid
SYSTEMATIC NAME: 4-(2-fluorophenyl)benzoic acid
MOLECULAR FORMULA: C13H9FO2
MOLECULAR WEIGHT: 216.207763
SMILES: C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)F
Structure:
CAS RN: 36793-27-8
CAS Name: 4-(2-fluorophenyl)benzoic acid
OPENEYE Name: 4-(2-fluorophenyl)benzoic acid
IUPAC Name: 4-(2-fluorophenyl)benzoic acid
SYSTEMATIC NAME: 4-(2-fluorophenyl)benzoic acid
MOLECULAR FORMULA: C13H9FO2
MOLECULAR WEIGHT: 216.207763
SMILES: C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)F
Structure:
CAS RN: 150462-35-4
CAS Name: N-(1H-indol-3-ylmethyl)-N-prop-2-enyl-2-propen-1-amine
OPENEYE Name: N-allyl-N-(1H-indol-3-ylmethyl)prop-2-en-1-amine
IUPAC Name: N-(1H-indol-3-ylmethyl)-N-prop-2-enylprop-2-en-1-amine
SYSTEMATIC NAME: N-(1H-indol-3-ylmethyl)-N-prop-2-enyl-prop-2-en-1-amine
MOLECULAR FORMULA: C15H18N2
MOLECULAR WEIGHT: 226.31682
SMILES: C=CCN(CC=C)CC1=CNC2=CC=CC=C21
Structure:
CAS RN: 56149-34-9
CAS Name: 2-(4-morpholinyl)-N-phenyl-3-pyridinecarboxamide
OPENEYE Name: 2-morpholino-N-phenyl-pyridine-3-carboxamide
IUPAC Name: 2-morpholin-4-yl-N-phenylpyridine-3-carboxamide
SYSTEMATIC NAME: 2-morpholin-4-yl-N-phenyl-pyridine-3-carboxamide
MOLECULAR FORMULA: C16H17N3O2
MOLECULAR WEIGHT: 283.32508
SMILES: C1COCCN1C2=C(C=CC=N2)C(=O)NC3=CC=CC=C3
Structure:
CAS RN: 44814-66-6
CAS Name: N-(2-fluorophenyl)-1-piperidinecarbothioamide
OPENEYE Name: N-(2-fluorophenyl)piperidine-1-carbothioamide
IUPAC Name: N-(2-fluorophenyl)piperidine-1-carbothioamide
SYSTEMATIC NAME: N-(2-fluorophenyl)piperidine-1-carbothioamide
MOLECULAR FORMULA: C12H15FN2S
MOLECULAR WEIGHT: 238.324303
SMILES: C1CCN(CC1)C(=S)NC2=CC=CC=C2F
Structure:
CAS RN: 3704-83-4
CAS Name: 1,3-bis(2-fluorophenyl)thiourea
OPENEYE Name: 1,3-bis(2-fluorophenyl)thiourea
IUPAC Name: 1,3-bis(2-fluorophenyl)thiourea
SYSTEMATIC NAME: 1,3-bis(2-fluorophenyl)thiourea
MOLECULAR FORMULA: C13H10F2N2S
MOLECULAR WEIGHT: 264.293706
SMILES: C1=CC=C(C(=C1)NC(=S)NC2=CC=CC=C2F)F
Structure:
CAS RN: 52708-32-4
CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)aniline
OPENEYE Name: 4-(3,5-dimethylpyrazol-1-yl)aniline
IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)aniline
SYSTEMATIC NAME: 4-(3,5-dimethylpyrazol-1-yl)aniline
MOLECULAR FORMULA: C11H13N3
MOLECULAR WEIGHT: 187.24102
SMILES: CC1=CC(=NN1C2=CC=C(C=C2)N)C
Structure:
CAS RN: 71248-08-3
CAS Name: 2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
OPENEYE Name: 2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
IUPAC Name: 2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
SYSTEMATIC NAME: 2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
MOLECULAR FORMULA: C12H13N3O2
MOLECULAR WEIGHT: 231.25052
SMILES: C1CCN2C(=O)N(C(=O)N2C1)C3=CC=CC=C3
Structure:
CAS RN: 5283-30-7
CAS Name: 2-[[4-(trifluoromethyl)phenyl]methylidene]propanedinitrile
OPENEYE Name: 2-[[4-(trifluoromethyl)phenyl]methylene]propanedinitrile
IUPAC Name: 2-[[4-(trifluoromethyl)phenyl]methylidene]propanedinitrile
SYSTEMATIC NAME: 2-[[4-(trifluoromethyl)phenyl]methylidene]propanedinitrile
MOLECULAR FORMULA: C11H5F3N2
MOLECULAR WEIGHT: 222.16601
SMILES: C1=CC(=CC=C1C=C(C#N)C#N)C(F)(F)F
Structure:
CAS RN: 90102-86-6
CAS Name: (2E)-2-[(4-methoxyphenyl)methylidene]butanedioic acid
OPENEYE Name: (2E)-2-[(4-methoxyphenyl)methylene]butanedioic acid
IUPAC Name: (2E)-2-[(4-methoxyphenyl)methylidene]butanedioic acid
SYSTEMATIC NAME: (2E)-2-[(4-methoxyphenyl)methylidene]butanedioic acid
MOLECULAR FORMULA: C12H12O5
MOLECULAR WEIGHT: 236.22068
SMILES: COC1=CC=C(C=C1)/C=C(\CC(=O)O)/C(=O)O
Structure:
CAS RN: 80964-44-9
CAS Name: 2-(4-hydroxy-2-thiazolyl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(4-hydroxythiazol-2-yl)acetate
IUPAC Name: ethyl 2-(4-hydroxy-1,3-thiazol-2-yl)acetate
SYSTEMATIC NAME: ethyl 2-(4-oxidanyl-1,3-thiazol-2-yl)ethanoate
MOLECULAR FORMULA: C7H9NO3S
MOLECULAR WEIGHT: 187.21626
SMILES: CCOC(=O)CC1=NC(=CS1)O
Structure:
CAS RN: 99304-37-7
CAS Name: (3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one
OPENEYE Name: (3S)-5-bromo-3-hydroxy-indolin-2-one
IUPAC Name: (3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one
SYSTEMATIC NAME: (3S)-5-bromanyl-3-oxidanyl-1,3-dihydroindol-2-one
MOLECULAR FORMULA: C8H6BrNO2
MOLECULAR WEIGHT: 228.04274
SMILES: C1=CC2=C(C=C1Br)[C@@H](C(=O)N2)O
Structure:
CAS RN: 80985-24-6
CAS Name: 1-(4-nitrophenyl)-2-(7H-purin-6-ylthio)ethanone
OPENEYE Name: 1-(4-nitrophenyl)-2-(7H-purin-6-ylsulfanyl)ethanone
IUPAC Name: 1-(4-nitrophenyl)-2-(7H-purin-6-ylsulfanyl)ethanone
SYSTEMATIC NAME: 1-(4-nitrophenyl)-2-(7H-purin-6-ylsulfanyl)ethanone
MOLECULAR FORMULA: C13H9N5O3S
MOLECULAR WEIGHT: 315.30726
SMILES: C1=CC(=CC=C1C(=O)CSC2=NC=NC3=C2NC=N3)[N+](=O)[O-]
Structure:
CAS RN: 3829-80-9
CAS Name: 2-amino-4-methyl-5-thiazolecarboxylic acid methyl ester
OPENEYE Name: methyl 2-amino-4-methyl-thiazole-5-carboxylate
IUPAC Name: methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate
SYSTEMATIC NAME: methyl 2-azanyl-4-methyl-1,3-thiazole-5-carboxylate
MOLECULAR FORMULA: C6H8N2O2S
MOLECULAR WEIGHT: 172.20492
SMILES: CC1=C(SC(=N1)N)C(=O)OC
Structure:
CAS RN: 22944-03-2
CAS Name: (3Z)-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one
OPENEYE Name: (3Z)-3-(1H-indol-3-ylmethylene)indolin-2-one
IUPAC Name: (3Z)-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one
SYSTEMATIC NAME: (3Z)-3-(1H-indol-3-ylmethylidene)-1H-indol-2-one
MOLECULAR FORMULA: C17H12N2O
MOLECULAR WEIGHT: 260.28998
SMILES: C1=CC=C2C(=C1)C(=CN2)/C=C\3/C4=CC=CC=C4NC3=O
Structure:
CAS RN: 5705-35-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H24N2O
MOLECULAR WEIGHT: 236.35316
SMILES: CC12CN3CC(C1O)(CN(C2)C34CCCC4)C
Structure:
CAS RN: 6627-03-8
CAS Name: 2-[(8-methoxy-6-oxo-3-benzo[c][1]benzopyranyl)oxy]acetic acid
OPENEYE Name: 2-(8-methoxy-6-oxo-benzo[c]chromen-3-yl)oxyacetic acid
IUPAC Name: 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetic acid
SYSTEMATIC NAME: 2-(8-methoxy-6-oxidanylidene-benzo[c]chromen-3-yl)oxyethanoic acid
MOLECULAR FORMULA: C16H12O6
MOLECULAR WEIGHT: 300.26288
SMILES: COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OCC(=O)O)OC2=O
Structure:
CAS RN: 436087-09-1
CAS Name: 1-[2-(1-azepanyl)-2-oxoethyl]-3-indolecarboxaldehyde
OPENEYE Name: 1-[2-(azepan-1-yl)-2-oxo-ethyl]indole-3-carbaldehyde
IUPAC Name: 1-[2-(azepan-1-yl)-2-oxoethyl]indole-3-carbaldehyde
SYSTEMATIC NAME: 1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indole-3-carbaldehyde
MOLECULAR FORMULA: C17H20N2O2
MOLECULAR WEIGHT: 284.3529
SMILES: C1CCCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)C=O
Structure:
CAS RN: 53086-13-8
CAS Name: (2-aminophenyl)-(1-pyrrolidinyl)methanone
OPENEYE Name: (2-aminophenyl)-pyrrolidin-1-yl-methanone
IUPAC Name: (2-aminophenyl)-pyrrolidin-1-ylmethanone
SYSTEMATIC NAME: (2-aminophenyl)-pyrrolidin-1-yl-methanone
MOLECULAR FORMULA: C11H14N2O
MOLECULAR WEIGHT: 190.24166
SMILES: C1CCN(C1)C(=O)C2=CC=CC=C2N
Structure:
CAS RN: 179692-09-2
CAS Name: 4-formyl-1H-pyrazole-5-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-formyl-1H-pyrazole-5-carboxylate
IUPAC Name: ethyl 4-formyl-1H-pyrazole-5-carboxylate
SYSTEMATIC NAME: ethyl 4-methanoyl-1H-pyrazole-5-carboxylate
MOLECULAR FORMULA: C7H8N2O3
MOLECULAR WEIGHT: 168.15002
SMILES: CCOC(=O)C1=C(C=NN1)C=O
Structure:
CAS RN: 31554-48-0
CAS Name: 3-(bromomethyl)-2,5-dihydrothiophene 1,1-dioxide
OPENEYE Name: 3-(bromomethyl)-2,5-dihydrothiophene 1,1-dioxide
IUPAC Name: 3-(bromomethyl)-2,5-dihydrothiophene 1,1-dioxide
SYSTEMATIC NAME: 3-(bromomethyl)-2,5-dihydrothiophene 1,1-dioxide
MOLECULAR FORMULA: C5H7BrO2S
MOLECULAR WEIGHT: 211.07688
SMILES: C1C=C(CS1(=O)=O)CBr
Structure:
CAS RN: 41340-78-7
CAS Name: N,N-dimethyl-1-piperazinecarboxamide
OPENEYE Name: N,N-dimethylpiperazine-1-carboxamide
IUPAC Name: N,N-dimethylpiperazine-1-carboxamide
SYSTEMATIC NAME: N,N-dimethylpiperazine-1-carboxamide
MOLECULAR FORMULA: C7H15N3O
MOLECULAR WEIGHT: 157.2135
SMILES: CN(C)C(=O)N1CCNCC1
Structure:
CAS RN: 93259-74-6
CAS Name: (2E)-2-[(2-nitrophenyl)methylidene]-1-benzothiophen-3-one
OPENEYE Name: (2E)-2-[(2-nitrophenyl)methylene]benzothiophen-3-one
IUPAC Name: (2E)-2-[(2-nitrophenyl)methylidene]-1-benzothiophen-3-one
SYSTEMATIC NAME: (2E)-2-[(2-nitrophenyl)methylidene]-1-benzothiophen-3-one
MOLECULAR FORMULA: C15H9NO3S
MOLECULAR WEIGHT: 283.30186
SMILES: C1=CC=C(C(=C1)/C=C/2\C(=O)C3=CC=CC=C3S2)[N+](=O)[O-]
Structure:
CAS RN: 6271-84-7
CAS Name: (4Z)-4-[(3-methyl-2-thiophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
OPENEYE Name: (4Z)-4-[(3-methyl-2-thienyl)methylene]-1-phenyl-pyrazolidine-3,5-dione
IUPAC Name: (4Z)-4-[(3-methylthiophen-2-yl)methylidene]-1-phenylpyrazolidine-3,5-dione
SYSTEMATIC NAME: (4Z)-4-[(3-methylthiophen-2-yl)methylidene]-1-phenyl-pyrazolidine-3,5-dione
MOLECULAR FORMULA: C15H12N2O2S
MOLECULAR WEIGHT: 284.33298
SMILES: CC1=C(SC=C1)/C=C\2/C(=O)NN(C2=O)C3=CC=CC=C3
Structure:
CAS RN: 5275-11-6
CAS Name: 3-amino-1-sulfanylidene-5,6,7,8-tetrahydro-2-benzothiopyran-4-carbonitrile
OPENEYE Name: 3-amino-1-thioxo-5,6,7,8-tetrahydroisothiochromene-4-carbonitrile
IUPAC Name: 3-amino-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromene-4-carbonitrile
SYSTEMATIC NAME: 3-azanyl-1-sulfanylidene-5,6,7,8-tetrahydroisothiochromene-4-carbonitrile
MOLECULAR FORMULA: C10H10N2S2
MOLECULAR WEIGHT: 222.3298
SMILES: C1CCC2=C(C1)C(=C(SC2=S)N)C#N
Structure:
CAS RN: 431983-71-0
CAS Name: 2-(3-formyl-2-methyl-1-indolyl)acetic acid methyl ester
OPENEYE Name: methyl 2-(3-formyl-2-methyl-indol-1-yl)acetate
IUPAC Name: methyl 2-(3-formyl-2-methylindol-1-yl)acetate
SYSTEMATIC NAME: methyl 2-(3-methanoyl-2-methyl-indol-1-yl)ethanoate
MOLECULAR FORMULA: C13H13NO3
MOLECULAR WEIGHT: 231.24722
SMILES: CC1=C(C2=CC=CC=C2N1CC(=O)OC)C=O
Structure:
CAS RN: 69389-14-6
CAS Name: 4-phenyl-2-(1-piperazinyl)thiazole
OPENEYE Name: 4-phenyl-2-piperazin-1-yl-thiazole
IUPAC Name: 4-phenyl-2-piperazin-1-yl-1,3-thiazole
SYSTEMATIC NAME: 4-phenyl-2-piperazin-1-yl-1,3-thiazole
MOLECULAR FORMULA: C13H15N3S
MOLECULAR WEIGHT: 245.3433
SMILES: C1CN(CCN1)C2=NC(=CS2)C3=CC=CC=C3
Structure:
CAS RN: 93475-15-1
CAS Name: 2-(6-bromo-2-methoxy-1-naphthalenyl)acetonitrile
OPENEYE Name: 2-(6-bromo-2-methoxy-1-naphthyl)acetonitrile
IUPAC Name: 2-(6-bromo-2-methoxynaphthalen-1-yl)acetonitrile
SYSTEMATIC NAME: 2-(6-bromanyl-2-methoxy-naphthalen-1-yl)ethanenitrile
MOLECULAR FORMULA: C13H10BrNO
MOLECULAR WEIGHT: 276.1286
SMILES: COC1=C(C2=C(C=C1)C=C(C=C2)Br)CC#N
Structure:
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