CAS RN: 200482-54-8
CAS Name: 3-chloro-1H-indol-7-amine hydrochloride
OPENEYE Name: 3-chloro-1H-indol-7-amine hydrochloride
IUPAC Name: 3-chloro-1H-indol-7-amine hydrochloride
SYSTEMATIC NAME: 3-chloranyl-1H-indol-7-amine hydrochloride
MOLECULAR FORMULA: C8H8Cl2N2
MOLECULAR WEIGHT: 203.06852
SMILES: C1=CC2=C(C(=C1)N)NC=C2Cl.Cl
Structure:
CAS RN: 62584-25-2
CAS Name: 4-amino-3-chloro-5-(trifluoromethyl)benzonitrile
OPENEYE Name: 4-amino-3-chloro-5-(trifluoromethyl)benzonitrile
IUPAC Name: 4-amino-3-chloro-5-(trifluoromethyl)benzonitrile
SYSTEMATIC NAME: 4-azanyl-3-chloranyl-5-(trifluoromethyl)benzenecarbonitrile
MOLECULAR FORMULA: C8H4ClF3N2
MOLECULAR WEIGHT: 220.57897
SMILES: C1=C(C=C(C(=C1C(F)(F)F)N)Cl)C#N
Structure:
CAS RN: 128454-90-0
CAS Name: N'-(4-quinolinyl)butane-1,4-diamine
OPENEYE Name: N'-(4-quinolyl)butane-1,4-diamine
IUPAC Name: N'-quinolin-4-ylbutane-1,4-diamine
SYSTEMATIC NAME: N'-quinolin-4-ylbutane-1,4-diamine
MOLECULAR FORMULA: C13H17N3
MOLECULAR WEIGHT: 215.29418
SMILES: C1=CC=C2C(=C1)C(=CC=N2)NCCCCN
Structure:
CAS RN: 201150-73-4
CAS Name: 5-amino-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 5-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate
IUPAC Name: tert-butyl 5-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate
SYSTEMATIC NAME: tert-butyl 5-azanyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
MOLECULAR FORMULA: C14H20N2O2
MOLECULAR WEIGHT: 248.3208
SMILES: CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC=C2N
Structure:
CAS RN: 82337-57-3
CAS Name: 2-acetamido-3-[3-(trifluoromethyl)phenyl]propanoic acid
OPENEYE Name: 2-acetamido-3-[3-(trifluoromethyl)phenyl]propanoic acid
IUPAC Name: 2-acetamido-3-[3-(trifluoromethyl)phenyl]propanoic acid
SYSTEMATIC NAME: 2-acetamido-3-[3-(trifluoromethyl)phenyl]propanoic acid
MOLECULAR FORMULA: C12H12F3NO3
MOLECULAR WEIGHT: 275.22379
SMILES: CC(=O)NC(CC1=CC(=CC=C1)C(F)(F)F)C(=O)O
Structure:
CAS RN: 599178-66-2
CAS Name: (E)-2-acetamido-3-(4-phenylphenyl)-2-propenoic acid
OPENEYE Name: (E)-2-acetamido-3-(4-phenylphenyl)prop-2-enoic acid
IUPAC Name: (E)-2-acetamido-3-(4-phenylphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-2-acetamido-3-(4-phenylphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C17H15NO3
MOLECULAR WEIGHT: 281.3059
SMILES: CC(=O)N/C(=C/C1=CC=C(C=C1)C2=CC=CC=C2)/C(=O)O
Structure:
CAS RN: 94430-86-1
CAS Name: 2-(2,4,6-trimethylphenyl)propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-(2,4,6-trimethylphenyl)propanedioate
IUPAC Name: diethyl 2-(2,4,6-trimethylphenyl)propanedioate
SYSTEMATIC NAME: diethyl 2-(2,4,6-trimethylphenyl)propanedioate
MOLECULAR FORMULA: C16H22O4
MOLECULAR WEIGHT: 278.34348
SMILES: CCOC(=O)C(C1=C(C=C(C=C1C)C)C)C(=O)OCC
Structure:
CAS RN: 637356-88-8
CAS Name: 2-(3,4,5-trimethoxyphenyl)propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-(3,4,5-trimethoxyphenyl)propanedioate
IUPAC Name: diethyl 2-(3,4,5-trimethoxyphenyl)propanedioate
SYSTEMATIC NAME: diethyl 2-(3,4,5-trimethoxyphenyl)propanedioate
MOLECULAR FORMULA: C16H22O7
MOLECULAR WEIGHT: 326.34168
SMILES: CCOC(=O)C(C1=CC(=C(C(=C1)OC)OC)OC)C(=O)OCC
Structure:
CAS RN: 1034297-69-2
CAS Name: 2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
OPENEYE Name: 2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC Name: 2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SYSTEMATIC NAME: 2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
MOLECULAR FORMULA: C12H18BNO3
MOLECULAR WEIGHT: 235.08722
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=NC(=CC=C2)OC
Structure:
CAS RN: 338454-14-1
CAS Name: 1H-indazol-5-ylboronic acid
OPENEYE Name: 1H-indazol-5-ylboronic acid
IUPAC Name: 1H-indazol-5-ylboronic acid
SYSTEMATIC NAME: 1H-indazol-5-ylboronic acid
MOLECULAR FORMULA: C7H7BN2O2
MOLECULAR WEIGHT: 161.95368
SMILES: B(C1=CC2=C(C=C1)NN=C2)(O)O
Structure:
CAS RN: 881402-16-0
CAS Name: 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine
OPENEYE Name: 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine
IUPAC Name: 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine
SYSTEMATIC NAME: 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine
MOLECULAR FORMULA: C12H15BF3NO2
MOLECULAR WEIGHT: 273.05921
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=NC(=CC=C2)C(F)(F)F
Structure:
CAS RN: 848500-38-9
CAS Name: (6-cyano-2-pyridinyl)boronic acid
OPENEYE Name: (6-cyano-2-pyridyl)boronic acid
IUPAC Name: (6-cyanopyridin-2-yl)boronic acid
SYSTEMATIC NAME: (6-cyanopyridin-2-yl)boronic acid
MOLECULAR FORMULA: C6H5BN2O2
MOLECULAR WEIGHT: 147.9271
SMILES: B(C1=NC(=CC=C1)C#N)(O)O
Structure:
CAS RN: 652148-92-0
CAS Name: 2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
OPENEYE Name: 2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC Name: 2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SYSTEMATIC NAME: 2-chloranyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
MOLECULAR FORMULA: C11H15BClNO2
MOLECULAR WEIGHT: 239.5063
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=NC(=CC=C2)Cl
Structure:
CAS RN: 862723-42-0
CAS Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
OPENEYE Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
IUPAC Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
SYSTEMATIC NAME: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
MOLECULAR FORMULA: C13H17BN2O2
MOLECULAR WEIGHT: 244.09728
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NN=C3
Structure:
CAS RN: 791819-04-0
CAS Name: 5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
OPENEYE Name: 5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC Name: 5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SYSTEMATIC NAME: 5-fluoranyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
MOLECULAR FORMULA: C11H15BFNO2
MOLECULAR WEIGHT: 223.051703
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=NC=C(C=C2)F
Structure:
CAS RN: 325145-35-5
CAS Name: (2S)-2-ethyl-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (2S)-2-ethylpiperazine-1-carboxylate
IUPAC Name: tert-butyl (2S)-2-ethylpiperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2S)-2-ethylpiperazine-1-carboxylate
MOLECULAR FORMULA: C11H22N2O2
MOLECULAR WEIGHT: 214.30458
SMILES: CC[C@H]1CNCCN1C(=O)OC(C)(C)C
Structure:
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