CAS RN: 5867-30-1
CAS Name: (E)-2-cyano-3-[5-(4-methyl-3-nitrophenyl)-2-furanyl]-2-propenamide
OPENEYE Name: (E)-2-cyano-3-[5-(4-methyl-3-nitro-phenyl)-2-furyl]prop-2-enamide
IUPAC Name: (E)-2-cyano-3-[5-(4-methyl-3-nitrophenyl)furan-2-yl]prop-2-enamide
SYSTEMATIC NAME: (E)-2-cyano-3-[5-(4-methyl-3-nitro-phenyl)furan-2-yl]prop-2-enamide
MOLECULAR FORMULA: C15H11N3O4
MOLECULAR WEIGHT: 297.26554
SMILES: CC1=C(C=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)N)[N+](=O)[O-]
Structure:
CAS RN: 58670-16-9
CAS Name: (E)-3-amino-4,4,4-trifluoro-1-(4-methylphenyl)-2-buten-1-one
OPENEYE Name: (E)-3-amino-4,4,4-trifluoro-1-(p-tolyl)but-2-en-1-one
IUPAC Name: (E)-3-amino-4,4,4-trifluoro-1-(4-methylphenyl)but-2-en-1-one
SYSTEMATIC NAME: (E)-3-azanyl-4,4,4-tris(fluoranyl)-1-(4-methylphenyl)but-2-en-1-one
MOLECULAR FORMULA: C11H10F3NO
MOLECULAR WEIGHT: 229.19841
SMILES: CC1=CC=C(C=C1)C(=O)/C=C(\C(F)(F)F)/N
Structure:
CAS RN: 5812-12-4
CAS Name: 1-(2-hydroxy-5-methoxyphenyl)-3-(3-methylphenyl)propane-1,3-dione
OPENEYE Name: 1-(2-hydroxy-5-methoxy-phenyl)-3-(m-tolyl)propane-1,3-dione
IUPAC Name: 1-(2-hydroxy-5-methoxyphenyl)-3-(3-methylphenyl)propane-1,3-dione
SYSTEMATIC NAME: 1-(5-methoxy-2-oxidanyl-phenyl)-3-(3-methylphenyl)propane-1,3-dione
MOLECULAR FORMULA: C17H16O4
MOLECULAR WEIGHT: 284.30654
SMILES: CC1=CC=CC(=C1)C(=O)CC(=O)C2=C(C=CC(=C2)OC)O
Structure:
CAS RN: 6109-68-8
CAS Name: 3-methyl-5-[(3-methyl-1-oxobutyl)amino]thiophene-2,4-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 3-methyl-5-(3-methylbutanoylamino)thiophene-2,4-dicarboxylate
IUPAC Name: dimethyl 3-methyl-5-(3-methylbutanoylamino)thiophene-2,4-dicarboxylate
SYSTEMATIC NAME: dimethyl 3-methyl-5-(3-methylbutanoylamino)thiophene-2,4-dicarboxylate
MOLECULAR FORMULA: C14H19NO5S
MOLECULAR WEIGHT: 313.36936
SMILES: CC1=C(SC(=C1C(=O)OC)NC(=O)CC(C)C)C(=O)OC
Structure:
CAS RN: 5995-27-7
CAS Name: 1-[6-methyl-1-prop-2-enyl-4-(1-pyrrolidinyl)-2-sulfanylidene-5-pyrimidinyl]ethanone
OPENEYE Name: 1-(1-allyl-6-methyl-4-pyrrolidin-1-yl-2-thioxo-pyrimidin-5-yl)ethanone
IUPAC Name: 1-(6-methyl-1-prop-2-enyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone
SYSTEMATIC NAME: 1-(6-methyl-1-prop-2-enyl-4-pyrrolidin-1-yl-2-sulfanylidene-pyrimidin-5-yl)ethanone
MOLECULAR FORMULA: C14H19N3OS
MOLECULAR WEIGHT: 277.38516
SMILES: CC1=C(C(=NC(=S)N1CC=C)N2CCCC2)C(=O)C
Structure:
CAS RN: 74177-70-1
CAS Name: 2-[(2-methylpropylamino)methylidene]indene-1,3-dione
OPENEYE Name: 2-[(isobutylamino)methylene]indane-1,3-dione
IUPAC Name: 2-[(2-methylpropylamino)methylidene]indene-1,3-dione
SYSTEMATIC NAME: 2-[(2-methylpropylamino)methylidene]indene-1,3-dione
MOLECULAR FORMULA: C14H15NO2
MOLECULAR WEIGHT: 229.2744
SMILES: CC(C)CNC=C1C(=O)C2=CC=CC=C2C1=O
Structure:
CAS RN: 5635-98-3
CAS Name: 2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazole-4-carboxaldehyde
OPENEYE Name: 2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazole-4-carbaldehyde
IUPAC Name: 2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazole-4-carbaldehyde
SYSTEMATIC NAME: 2-(4-chlorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazole-4-carbaldehyde
MOLECULAR FORMULA: C11H9ClN2O2
MOLECULAR WEIGHT: 236.65436
SMILES: CC1=C(C(=O)N(N1)C2=CC=C(C=C2)Cl)C=O
Structure:
CAS RN: 499-48-9
CAS Name: (5S)-5-phenyl-5-(phenylmethyl)imidazolidine-2,4-dione
OPENEYE Name: (5S)-5-benzyl-5-phenyl-imidazolidine-2,4-dione
IUPAC Name: (5S)-5-benzyl-5-phenylimidazolidine-2,4-dione
SYSTEMATIC NAME: (5S)-5-phenyl-5-(phenylmethyl)imidazolidine-2,4-dione
MOLECULAR FORMULA: C16H14N2O2
MOLECULAR WEIGHT: 266.29456
SMILES: C1=CC=C(C=C1)C[C@@]2(C(=O)NC(=O)N2)C3=CC=CC=C3
Structure:
CAS RN: 56718-70-8
CAS Name: 1-(2-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
OPENEYE Name: 1-(2-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
IUPAC Name: 1-(2-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
SYSTEMATIC NAME: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(2-chlorophenyl)urea
MOLECULAR FORMULA: C14H9Cl2F3N2O
MOLECULAR WEIGHT: 349.13527
SMILES: C1=CC=C(C(=C1)NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)Cl
Structure:
CAS RN: 56575-29-2
CAS Name: 1-(3-chlorophenyl)-3-ethylthiourea
OPENEYE Name: 1-(3-chlorophenyl)-3-ethyl-thiourea
IUPAC Name: 1-(3-chlorophenyl)-3-ethylthiourea
SYSTEMATIC NAME: 1-(3-chlorophenyl)-3-ethyl-thiourea
MOLECULAR FORMULA: C9H11ClN2S
MOLECULAR WEIGHT: 214.71504
SMILES: CCNC(=S)NC1=CC(=CC=C1)Cl
Structure:
CAS RN: 13560-37-7
CAS Name: 1-(3-chloro-4-methylphenyl)-3-phenylthiourea
OPENEYE Name: 1-(3-chloro-4-methyl-phenyl)-3-phenyl-thiourea
IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-phenylthiourea
SYSTEMATIC NAME: 1-(3-chloranyl-4-methyl-phenyl)-3-phenyl-thiourea
MOLECULAR FORMULA: C14H13ClN2S
MOLECULAR WEIGHT: 276.78442
SMILES: CC1=C(C=C(C=C1)NC(=S)NC2=CC=CC=C2)Cl
Structure:
CAS RN: 76483-87-9
CAS Name: 1-[(4-chlorophenyl)methyl]-3-indolecarboxaldehyde
OPENEYE Name: 1-[(4-chlorophenyl)methyl]indole-3-carbaldehyde
IUPAC Name: 1-[(4-chlorophenyl)methyl]indole-3-carbaldehyde
SYSTEMATIC NAME: 1-[(4-chlorophenyl)methyl]indole-3-carbaldehyde
MOLECULAR FORMULA: C16H12ClNO
MOLECULAR WEIGHT: 269.72558
SMILES: C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C=O
Structure:
CAS RN: 53514-41-3
CAS Name: N-[(2-hydroxyanilino)-sulfanylidenemethyl]benzamide
OPENEYE Name: N-[(2-hydroxyphenyl)carbamothioyl]benzamide
IUPAC Name: N-[(2-hydroxyphenyl)carbamothioyl]benzamide
SYSTEMATIC NAME: N-[(2-hydroxyphenyl)carbamothioyl]benzamide
MOLECULAR FORMULA: C14H12N2O2S
MOLECULAR WEIGHT: 272.32228
SMILES: C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2O
Structure:
CAS RN: 5617-08-3
CAS Name: (4E)-4-[(2-hydroxy-3-methoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
OPENEYE Name: (4E)-4-[(2-hydroxy-3-methoxy-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione
IUPAC Name: (4E)-4-[(2-hydroxy-3-methoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
SYSTEMATIC NAME: (4E)-4-[(3-methoxy-2-oxidanyl-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione
MOLECULAR FORMULA: C17H14N2O4
MOLECULAR WEIGHT: 310.30406
SMILES: COC1=CC=CC(=C1O)/C=C/2\C(=O)NN(C2=O)C3=CC=CC=C3
Structure:
CAS RN: 56012-71-6
CAS Name: 1-(4-ethylphenyl)sulfonyl-4-methylpiperazine
OPENEYE Name: 1-(4-ethylphenyl)sulfonyl-4-methyl-piperazine
IUPAC Name: 1-(4-ethylphenyl)sulfonyl-4-methylpiperazine
SYSTEMATIC NAME: 1-(4-ethylphenyl)sulfonyl-4-methyl-piperazine
MOLECULAR FORMULA: C13H20N2O2S
MOLECULAR WEIGHT: 268.3751
SMILES: CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C
Structure:
CAS RN: 212392-89-7
CAS Name: 1-(2-furanyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
OPENEYE Name: 1-(2-furyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
IUPAC Name: 1-(furan-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
SYSTEMATIC NAME: 1-(furan-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
MOLECULAR FORMULA: C15H19NO4
MOLECULAR WEIGHT: 277.31566
SMILES: COC1=CC(=CC(=C1OC)OC)CNCC2=CC=CO2
Structure:
CAS RN: 55933-18-1
CAS Name: 1-(4-chlorophenyl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
OPENEYE Name: 1-(4-chlorophenyl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
IUPAC Name: 1-(4-chlorophenyl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
MOLECULAR FORMULA: C12H13ClN4OS
MOLECULAR WEIGHT: 296.77582
SMILES: CCCC1=NN=C(S1)NC(=O)NC2=CC=C(C=C2)Cl
Structure:
CAS RN: 5552-57-8
CAS Name: N-[[(6-methyl-4-pyrimidinyl)thio]methyl]benzamide
OPENEYE Name: N-[(6-methylpyrimidin-4-yl)sulfanylmethyl]benzamide
IUPAC Name: N-[(6-methylpyrimidin-4-yl)sulfanylmethyl]benzamide
SYSTEMATIC NAME: N-[(6-methylpyrimidin-4-yl)sulfanylmethyl]benzamide
MOLECULAR FORMULA: C13H13N3OS
MOLECULAR WEIGHT: 259.32682
SMILES: CC1=CC(=NC=N1)SCNC(=O)C2=CC=CC=C2
Structure:
CAS RN: 55910-09-3
CAS Name: (E)-3-(2-furanyl)-N-[2-[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]phenyl]-2-propenamide
OPENEYE Name: (E)-3-(2-furyl)-N-[2-[[(E)-3-(2-furyl)prop-2-enoyl]amino]phenyl]prop-2-enamide
IUPAC Name: (E)-3-(furan-2-yl)-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-(furan-2-yl)-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
MOLECULAR FORMULA: C20H16N2O4
MOLECULAR WEIGHT: 348.35204
SMILES: C1=CC=C(C(=C1)NC(=O)/C=C/C2=CC=CO2)NC(=O)/C=C/C3=CC=CO3
Structure:
CAS RN: 5549-26-8
CAS Name: 2-fluoro-N-[oxo-[(phenylmethyl)amino]methyl]benzamide
OPENEYE Name: N-(benzylcarbamoyl)-2-fluoro-benzamide
IUPAC Name: N-(benzylcarbamoyl)-2-fluorobenzamide
SYSTEMATIC NAME: 2-fluoranyl-N-[(phenylmethyl)carbamoyl]benzamide
MOLECULAR FORMULA: C15H13FN2O2
MOLECULAR WEIGHT: 272.274323
SMILES: C1=CC=C(C=C1)CNC(=O)NC(=O)C2=CC=CC=C2F
Structure:
CAS RN: 5547-81-9
CAS Name: 1-[4-[[4-(1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]phenyl]ethanone
OPENEYE Name: 1-[4-[(4-isoindolin-2-ylphenyl)methyleneamino]phenyl]ethanone
IUPAC Name: 1-[4-[[4-(1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]phenyl]ethanone
SYSTEMATIC NAME: 1-[4-[[4-(1,3-dihydroisoindol-2-yl)phenyl]methylideneamino]phenyl]ethanone
MOLECULAR FORMULA: C23H20N2O
MOLECULAR WEIGHT: 340.4177
SMILES: CC(=O)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)N3CC4=CC=CC=C4C3
Structure:
CAS RN: 114413-77-3
CAS Name: N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine
OPENEYE Name: N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine
IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine
MOLECULAR FORMULA: C13H17NO2
MOLECULAR WEIGHT: 219.27958
SMILES: C1CCC(C1)NCC2=CC3=C(C=C2)OCO3
Structure:
CAS RN: 346725-54-0
CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)methanamine
OPENEYE Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)methanamine
IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)methanamine
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)methanamine
MOLECULAR FORMULA: C15H14FNO2
MOLECULAR WEIGHT: 259.275563
SMILES: C1OC2=C(O1)C=C(C=C2)CNCC3=CC=C(C=C3)F
Structure:
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