CAS RN: 907545-47-5
CAS Name: 2-chloro-5-nitro-4-pyridinecarboxylic acid
OPENEYE Name: 2-chloro-5-nitro-pyridine-4-carboxylic acid
IUPAC Name: 2-chloro-5-nitropyridine-4-carboxylic acid
SYSTEMATIC NAME: 2-chloranyl-5-nitro-pyridine-4-carboxylic acid
MOLECULAR FORMULA: C6H3ClN2O4
MOLECULAR WEIGHT: 202.55202
SMILES: C1=C(C(=CN=C1Cl)[N+](=O)[O-])C(=O)O
Structure:
CAS RN: 45732-95-4
CAS Name: 1-(aminomethyl)-1-cycloheptanol
OPENEYE Name: 1-(aminomethyl)cycloheptanol
IUPAC Name: 1-(aminomethyl)cycloheptan-1-ol
SYSTEMATIC NAME: 1-(aminomethyl)cycloheptan-1-ol
MOLECULAR FORMULA: C8H17NO
MOLECULAR WEIGHT: 143.22668
SMILES: C1CCCC(CC1)(CN)O
Structure:
CAS RN: 473932-16-0
CAS Name: 2-(6-quinoxalinyl)acetic acid
OPENEYE Name: 2-quinoxalin-6-ylacetic acid
IUPAC Name: 2-quinoxalin-6-ylacetic acid
SYSTEMATIC NAME: 2-quinoxalin-6-ylethanoic acid
MOLECULAR FORMULA: C10H8N2O2
MOLECULAR WEIGHT: 188.18272
SMILES: C1=CC2=NC=CN=C2C=C1CC(=O)O
Structure:
CAS RN: 136982-36-0
CAS Name: N-[(2-methoxyphenyl)methyl]-2-phenyl-3-piperidinamine
OPENEYE Name: N-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine
IUPAC Name: N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
SYSTEMATIC NAME: N-[(2-methoxyphenyl)methyl]-2-phenyl-piperidin-3-amine
MOLECULAR FORMULA: C19H24N2O
MOLECULAR WEIGHT: 296.40666
SMILES: COC1=CC=CC=C1CNC2CCCNC2C3=CC=CC=C3
Structure:
CAS RN: 83350-55-4
CAS Name: 1-decyl-4-pyridin-1-iumcarboxamide bromide
OPENEYE Name: 1-decylpyridin-1-ium-4-carboxamide bromide
IUPAC Name: 1-decylpyridin-1-ium-4-carboxamide bromide
SYSTEMATIC NAME: 1-decylpyridin-1-ium-4-carboxamide bromide
MOLECULAR FORMULA: C16H27BrN2O
MOLECULAR WEIGHT: 343.30238
SMILES: CCCCCCCCCC[N+]1=CC=C(C=C1)C(=O)N.[Br-]
Structure:
CAS RN: 188479-24-5
CAS Name: (3,5-diaminophenyl)-[4-(2-phenylethynyl)phenyl]methanone
OPENEYE Name: (3,5-diaminophenyl)-[4-(2-phenylethynyl)phenyl]methanone
IUPAC Name: (3,5-diaminophenyl)-[4-(2-phenylethynyl)phenyl]methanone
SYSTEMATIC NAME: [3,5-bis(azanyl)phenyl]-[4-(2-phenylethynyl)phenyl]methanone
MOLECULAR FORMULA: C21H16N2O
MOLECULAR WEIGHT: 312.36454
SMILES: C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)C3=CC(=CC(=C3)N)N
Structure:
CAS RN: 58821-98-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H34O6
MOLECULAR WEIGHT: 466.56596
SMILES: CC1CC2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)OC(=O)CC5=CC=CC=C5
Structure:
CAS RN: 148018-29-5
CAS Name: 4-chloro-6-quinolinol
OPENEYE Name: 4-chloroquinolin-6-ol
IUPAC Name: 4-chloroquinolin-6-ol
SYSTEMATIC NAME: 4-chloranylquinolin-6-ol
MOLECULAR FORMULA: C9H6ClNO
MOLECULAR WEIGHT: 179.60304
SMILES: C1=CC2=NC=CC(=C2C=C1O)Cl
Structure:
CAS RN: 93964-52-4
CAS Name: N-(1-hydroxybutan-2-yl)-16-methylheptadecanamide
OPENEYE Name: N-[1-(hydroxymethyl)propyl]-16-methyl-heptadecanamide
IUPAC Name: N-(1-hydroxybutan-2-yl)-16-methylheptadecanamide
SYSTEMATIC NAME: 16-methyl-N-(1-oxidanylbutan-2-yl)heptadecanamide
MOLECULAR FORMULA: C22H45NO2
MOLECULAR WEIGHT: 355.5982
SMILES: CCC(CO)NC(=O)CCCCCCCCCCCCCCC(C)C
Structure:
CAS RN: 58580-07-7
CAS Name: 2-amino-5-bromo-3-nitrobenzoic acid
OPENEYE Name: 2-amino-5-bromo-3-nitro-benzoic acid
IUPAC Name: 2-amino-5-bromo-3-nitrobenzoic acid
SYSTEMATIC NAME: 2-azanyl-5-bromanyl-3-nitro-benzoic acid
MOLECULAR FORMULA: C7H5BrN2O4
MOLECULAR WEIGHT: 261.0296
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])N)C(=O)O)Br
Structure:
CAS RN: 35256-86-1
CAS Name: 3,5-dimethyl-N-(phenylmethyl)-N-propan-2-ylbenzamide
OPENEYE Name: N-benzyl-N-isopropyl-3,5-dimethyl-benzamide
IUPAC Name: N-benzyl-3,5-dimethyl-N-propan-2-ylbenzamide
SYSTEMATIC NAME: 3,5-dimethyl-N-(phenylmethyl)-N-propan-2-yl-benzamide
MOLECULAR FORMULA: C19H23NO
MOLECULAR WEIGHT: 281.39202
SMILES: CC1=CC(=CC(=C1)C(=O)N(CC2=CC=CC=C2)C(C)C)C
Structure:
CAS RN: 57801-46-4
CAS Name: N-(2-methylprop-2-enyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline
OPENEYE Name: N-(2-methylallyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline
IUPAC Name: N-(2-methylprop-2-enyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline
SYSTEMATIC NAME: N-(2-methylprop-2-enyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline
MOLECULAR FORMULA: C14H16F3N3O4
MOLECULAR WEIGHT: 347.28975
SMILES: CCCN(CC(=C)C)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
Structure:
CAS RN: 42089-03-2
CAS Name: N-[5-(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
OPENEYE Name: N-[5-(2-chloro-1,1-dimethyl-ethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
IUPAC Name: N-[5-(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SYSTEMATIC NAME: N-[5-(1-chloranyl-2-methyl-propan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
MOLECULAR FORMULA: C10H14ClN3OS
MOLECULAR WEIGHT: 259.75566
SMILES: CC(C)(CCl)C1=NN=C(S1)NC(=O)C2CC2
Structure:
CAS RN: 99377-83-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H32O4
MOLECULAR WEIGHT: 408.52988
SMILES: C1CC2C(C1)C3CC2CC3(C4=CC=C(C=C4)OCCO)C5=CC=C(C=C5)OCCO
Structure:
CAS RN: 234081-75-5
CAS Name: 4-(1,4-diazepan-1-yl)benzoic acid ethyl ester
OPENEYE Name: ethyl 4-(1,4-diazepan-1-yl)benzoate
IUPAC Name: ethyl 4-(1,4-diazepan-1-yl)benzoate
SYSTEMATIC NAME: ethyl 4-(1,4-diazepan-1-yl)benzoate
MOLECULAR FORMULA: C14H20N2O2
MOLECULAR WEIGHT: 248.3208
SMILES: CCOC(=O)C1=CC=C(C=C1)N2CCCNCC2
Structure:
CAS RN: 21900-30-1
CAS Name: 3-chloro-4-methylbenzoyl chloride
OPENEYE Name: 3-chloro-4-methyl-benzoyl chloride
IUPAC Name: 3-chloro-4-methylbenzoyl chloride
SYSTEMATIC NAME: 3-chloranyl-4-methyl-benzoyl chloride
MOLECULAR FORMULA: C8H6Cl2O
MOLECULAR WEIGHT: 189.03864
SMILES: CC1=C(C=C(C=C1)C(=O)Cl)Cl
Structure:
CAS RN: 1204574-42-4
CAS Name: 2,3,6-trifluorobenzenesulfonamide
OPENEYE Name: 2,3,6-trifluorobenzenesulfonamide
IUPAC Name: 2,3,6-trifluorobenzenesulfonamide
SYSTEMATIC NAME: 2,3,6-tris(fluoranyl)benzenesulfonamide
MOLECULAR FORMULA: C6H4F3NO2S
MOLECULAR WEIGHT: 211.16167
SMILES: C1=CC(=C(C(=C1F)F)S(=O)(=O)N)F
Structure:
CAS RN: 168986-49-0
CAS Name: 2-(4-piperidinyl)acetic acid methyl ester hydrochloride
OPENEYE Name: methyl 2-(4-piperidyl)acetate hydrochloride
IUPAC Name: methyl 2-piperidin-4-ylacetate hydrochloride
SYSTEMATIC NAME: methyl 2-piperidin-4-ylethanoate hydrochloride
MOLECULAR FORMULA: C8H16ClNO2
MOLECULAR WEIGHT: 193.67114
SMILES: COC(=O)CC1CCNCC1.Cl
Structure:
CAS RN: 223514-52-1
CAS Name: 5-chloro-2-(1-piperazinyl)thiazole
OPENEYE Name: 5-chloro-2-piperazin-1-yl-thiazole
IUPAC Name: 5-chloro-2-piperazin-1-yl-1,3-thiazole
SYSTEMATIC NAME: 5-chloranyl-2-piperazin-1-yl-1,3-thiazole
MOLECULAR FORMULA: C7H10ClN3S
MOLECULAR WEIGHT: 203.6924
SMILES: C1CN(CCN1)C2=NC=C(S2)Cl
Structure:
CAS RN: 223514-48-5
CAS Name: 5-bromo-2-(1-piperazinyl)thiazole
OPENEYE Name: 5-bromo-2-piperazin-1-yl-thiazole
IUPAC Name: 5-bromo-2-piperazin-1-yl-1,3-thiazole
SYSTEMATIC NAME: 5-bromanyl-2-piperazin-1-yl-1,3-thiazole
MOLECULAR FORMULA: C7H10BrN3S
MOLECULAR WEIGHT: 248.1434
SMILES: C1CN(CCN1)C2=NC=C(S2)Br
Structure:
CAS RN: 120711-81-1
CAS Name: 7-nitro-3,4-dihydro-2H-1,4-benzoxazine
OPENEYE Name: 7-nitro-3,4-dihydro-2H-1,4-benzoxazine
IUPAC Name: 7-nitro-3,4-dihydro-2H-1,4-benzoxazine
SYSTEMATIC NAME: 7-nitro-3,4-dihydro-2H-1,4-benzoxazine
MOLECULAR FORMULA: C8H8N2O3
MOLECULAR WEIGHT: 180.16072
SMILES: C1COC2=C(N1)C=CC(=C2)[N+](=O)[O-]
Structure:
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