CAS RN: 1758-80-1
CAS Name: (2S)-2,4-diaminobutanoic acid
OPENEYE Name: (2S)-2,4-diaminobutanoic acid
IUPAC Name: (2S)-2,4-diaminobutanoic acid
SYSTEMATIC NAME: (2S)-2,4-bis(azanyl)butanoic acid
MOLECULAR FORMULA: C4H10N2O2
MOLECULAR WEIGHT: 118.1344
SMILES: C(CN)[C@@H](C(=O)O)N
Structure:
CAS RN: 1608-85-1
CAS Name: 3-(2,5-dioxo-1-pyrrolidinyl)piperidine-2,6-dione
OPENEYE Name: 3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
IUPAC Name: 3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
SYSTEMATIC NAME: 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]piperidine-2,6-dione
MOLECULAR FORMULA: C9H10N2O4
MOLECULAR WEIGHT: 210.1867
SMILES: C1CC(=O)NC(=O)C1N2C(=O)CCC2=O
Structure:
CAS RN: 19694-86-1
CAS Name: 3-(2,5-dioxo-1-pyrrolidinyl)piperidine-2,6-dione
OPENEYE Name: 3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
IUPAC Name: 3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
SYSTEMATIC NAME: 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]piperidine-2,6-dione
MOLECULAR FORMULA: C9H10N2O4
MOLECULAR WEIGHT: 210.1867
SMILES: C1CC(=O)NC(=O)C1N2C(=O)CCC2=O
Structure:
CAS RN: 15012-28-9
CAS Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,3,5-triazine-2,4-dione
OPENEYE Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3,5-triazine-2,4-dione
IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazine-2,4-dione
SYSTEMATIC NAME: 1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,3,5-triazine-2,4-dione
MOLECULAR FORMULA: C8H11N3O6
MOLECULAR WEIGHT: 245.18944
SMILES: C1=NC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
Structure:
CAS RN: 148619-41-4
CAS Name: (2S)-1-phenyl-2-propanamine hydrochloride
OPENEYE Name: (2S)-1-phenylpropan-2-amine hydrochloride
IUPAC Name: (2S)-1-phenylpropan-2-amine hydrochloride
SYSTEMATIC NAME: (2S)-1-phenylpropan-2-amine hydrochloride
MOLECULAR FORMULA: C9H14ClN
MOLECULAR WEIGHT: 171.66716
SMILES: C[C@@H](CC1=CC=CC=C1)N.Cl
Structure:
CAS RN: 1459-39-8
CAS Name: cycloheptanecarboxamide
OPENEYE Name: cycloheptanecarboxamide
IUPAC Name: cycloheptanecarboxamide
SYSTEMATIC NAME: cycloheptanecarboxamide
MOLECULAR FORMULA: C8H15NO
MOLECULAR WEIGHT: 141.2108
SMILES: C1CCCC(CC1)C(=O)N
Structure:
CAS RN: 4252-21-5
CAS Name: (2S)-2,6-diamino-4,5-ditritiohexanoic acid
OPENEYE Name: (2S)-2,6-diamino-4,5-ditritio-hexanoic acid
IUPAC Name: (2S)-2,6-diamino-4,5-ditritiohexanoic acid
SYSTEMATIC NAME: (2S)-2,6-bis(azanyl)-4,5-ditritio-hexanoic acid
MOLECULAR FORMULA: C6H14N2O2
MOLECULAR WEIGHT: 150.203779
SMILES: [3H]C(C[C@@H](C(=O)O)N)C([3H])CN
Structure:
CAS RN: 60230-72-0
CAS Name: 2-phenyl-4H-pyrazolo[1,5-a]indole
OPENEYE Name: 2-phenyl-4H-pyrazolo[1,5-a]indole
IUPAC Name: 2-phenyl-4H-pyrazolo[1,5-a]indole
SYSTEMATIC NAME: 2-phenyl-4H-pyrazolo[1,5-a]indole
MOLECULAR FORMULA: C16H12N2
MOLECULAR WEIGHT: 232.27988
SMILES: C1C2=CC=CC=C2N3C1=CC(=N3)C4=CC=CC=C4
Structure:
CAS RN: 60230-69-5
CAS Name: 2-phenyl-4,5-dihydropyrazolo[1,5-a]quinoline
OPENEYE Name: 2-phenyl-4,5-dihydropyrazolo[1,5-a]quinoline
IUPAC Name: 2-phenyl-4,5-dihydropyrazolo[1,5-a]quinoline
SYSTEMATIC NAME: 2-phenyl-4,5-dihydropyrazolo[1,5-a]quinoline
MOLECULAR FORMULA: C17H14N2
MOLECULAR WEIGHT: 246.30646
SMILES: C1CC2=CC(=NN2C3=CC=CC=C31)C4=CC=CC=C4
Structure:
CAS RN: 60113-82-8
CAS Name: 4-hydroxy-2-propylpentanoic acid
OPENEYE Name: 4-hydroxy-2-propyl-pentanoic acid
IUPAC Name: 4-hydroxy-2-propylpentanoic acid
SYSTEMATIC NAME: 4-oxidanyl-2-propyl-pentanoic acid
MOLECULAR FORMULA: C8H16O3
MOLECULAR WEIGHT: 160.21084
SMILES: CCCC(CC(C)O)C(=O)O
Structure:
CAS RN: 60110-39-6
CAS Name: 5-(2,4-dichlorophenoxy)-2-nitroaniline
OPENEYE Name: 5-(2,4-dichlorophenoxy)-2-nitro-aniline
IUPAC Name: 5-(2,4-dichlorophenoxy)-2-nitroaniline
SYSTEMATIC NAME: 5-[2,4-bis(chloranyl)phenoxy]-2-nitro-aniline
MOLECULAR FORMULA: C12H8Cl2N2O3
MOLECULAR WEIGHT: 299.10952
SMILES: C1=CC(=C(C=C1OC2=C(C=C(C=C2)Cl)Cl)N)[N+](=O)[O-]
Structure:
CAS RN: 59939-44-5
CAS Name: 4-[(2-chlorocyclohexyl)thio]isoindole-1,3-dione
OPENEYE Name: 4-(2-chlorocyclohexyl)sulfanylisoindoline-1,3-dione
IUPAC Name: 4-(2-chlorocyclohexyl)sulfanylisoindole-1,3-dione
SYSTEMATIC NAME: 4-(2-chloranylcyclohexyl)sulfanylisoindole-1,3-dione
MOLECULAR FORMULA: C14H14ClNO2S
MOLECULAR WEIGHT: 295.78446
SMILES: C1CCC(C(C1)SC2=CC=CC3=C2C(=O)NC3=O)Cl
Structure:
CAS RN: 59609-67-5
CAS Name: ethane-1,2-diol
OPENEYE Name: ethane-1,2-diol
IUPAC Name: ethane-1,2-diol
SYSTEMATIC NAME: ethane-1,2-diol
MOLECULAR FORMULA: C2H6O2
MOLECULAR WEIGHT: 66.052924
SMILES: [14CH2]([14CH2]O)O
Structure:
CAS RN: 59530-20-0
CAS Name: 6-(benzenesulfonyl)-1H-benzimidazol-2-amine
OPENEYE Name: 6-(benzenesulfonyl)-1H-benzimidazol-2-amine
IUPAC Name: 6-(benzenesulfonyl)-1H-benzimidazol-2-amine
SYSTEMATIC NAME: 6-(phenylsulfonyl)-1H-benzimidazol-2-amine
MOLECULAR FORMULA: C13H11N3O2S
MOLECULAR WEIGHT: 273.31034
SMILES: C1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(N3)N
Structure:
CAS RN: 58888-87-2
CAS Name: 3-ethylpentanoic acid
OPENEYE Name: 3-ethylpentanoic acid
IUPAC Name: 3-ethylpentanoic acid
SYSTEMATIC NAME: 3-ethylpentanoic acid
MOLECULAR FORMULA: C7H14O2
MOLECULAR WEIGHT: 130.18486
SMILES: CCC(CC)CC(=O)O
Structure:
CAS RN: 58888-84-9
CAS Name: 3-hydroxy-2-propylpentanoic acid
OPENEYE Name: 3-hydroxy-2-propyl-pentanoic acid
IUPAC Name: 3-hydroxy-2-propylpentanoic acid
SYSTEMATIC NAME: 3-oxidanyl-2-propyl-pentanoic acid
MOLECULAR FORMULA: C8H16O3
MOLECULAR WEIGHT: 160.21084
SMILES: CCCC(C(CC)O)C(=O)O
Structure:
CAS RN: 57817-70-6
CAS Name: 4-(diaminomethylideneamino)benzoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester
OPENEYE Name: (4-methyl-2-oxo-chromen-7-yl) 4-guanidinobenzoate
IUPAC Name: (4-methyl-2-oxochromen-7-yl) 4-(diaminomethylideneamino)benzoate
SYSTEMATIC NAME: (4-methyl-2-oxidanylidene-chromen-7-yl) 4-[bis(azanyl)methylideneamino]benzoate
MOLECULAR FORMULA: C18H15N3O4
MOLECULAR WEIGHT: 337.3294
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N
Structure:
CAS RN: 57754-86-6
CAS Name: 3-(2-methoxyphenoxy)-N-methyl-3-phenyl-1-propanamine hydrochloride
OPENEYE Name: 3-(2-methoxyphenoxy)-N-methyl-3-phenyl-propan-1-amine hydrochloride
IUPAC Name: 3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine hydrochloride
SYSTEMATIC NAME: 3-(2-methoxyphenoxy)-N-methyl-3-phenyl-propan-1-amine hydrochloride
MOLECULAR FORMULA: C17H22ClNO2
MOLECULAR WEIGHT: 307.81508
SMILES: CNCCC(C1=CC=CC=C1)OC2=CC=CC=C2OC.Cl
Structure:
CAS RN: 57227-16-4
CAS Name: N-[3-[4-[2-(diethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]benzamide hydrochloride
OPENEYE Name: N-[1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-(dipropylamino)-2-oxo-ethyl]benzamide hydrochloride
IUPAC Name: N-[3-[4-[2-(diethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]benzamide hydrochloride
SYSTEMATIC NAME: N-[3-[4-[2-(diethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxidanylidene-propan-2-yl]benzamide hydrochloride
MOLECULAR FORMULA: C28H42ClN3O3
MOLECULAR WEIGHT: 504.10438
SMILES: CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN(CC)CC)NC(=O)C2=CC=CC=C2.Cl
Structure:
CAS RN: 52186-05-7
CAS Name: 2,4-dimethyl-1,5-diphenyl-3-pentanone
OPENEYE Name: 2,4-dimethyl-1,5-diphenyl-pentan-3-one
IUPAC Name: 2,4-dimethyl-1,5-diphenylpentan-3-one
SYSTEMATIC NAME: 2,4-dimethyl-1,5-diphenyl-pentan-3-one
MOLECULAR FORMULA: C19H22O
MOLECULAR WEIGHT: 266.37738
SMILES: CC(CC1=CC=CC=C1)C(=O)C(C)CC2=CC=CC=C2
Structure:
CAS RN: 56858-70-9
CAS Name: 3-chloro-4-(4-hydroxyphenyl)phenol
OPENEYE Name: 3-chloro-4-(4-hydroxyphenyl)phenol
IUPAC Name: 3-chloro-4-(4-hydroxyphenyl)phenol
SYSTEMATIC NAME: 3-chloranyl-4-(4-hydroxyphenyl)phenol
MOLECULAR FORMULA: C12H9ClO2
MOLECULAR WEIGHT: 220.65166
SMILES: C1=CC(=CC=C1C2=C(C=C(C=C2)O)Cl)O
Structure:
CAS RN: 58327-09-6
CAS Name: (2S)-2-(hydroxymethyl)-6-(2-methoxyethyl)-2,5,7-trimethyl-3H-inden-1-one
OPENEYE Name: (2S)-2-(hydroxymethyl)-6-(2-methoxyethyl)-2,5,7-trimethyl-indan-1-one
IUPAC Name: (2S)-2-(hydroxymethyl)-6-(2-methoxyethyl)-2,5,7-trimethyl-3H-inden-1-one
SYSTEMATIC NAME: (2S)-2-(hydroxymethyl)-6-(2-methoxyethyl)-2,5,7-trimethyl-3H-inden-1-one
MOLECULAR FORMULA: C16H22O3
MOLECULAR WEIGHT: 262.34408
SMILES: CC1=C(C(=C2C(=C1)C[C@@](C2=O)(C)CO)C)CCOC
Structure:
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