CAS RN: 120218-46-4
CAS Name: N-(phenylmethyl)cyclobutanamine hydrochloride
OPENEYE Name: N-benzylcyclobutanamine hydrochloride
IUPAC Name: N-benzylcyclobutanamine hydrochloride
SYSTEMATIC NAME: N-(phenylmethyl)cyclobutanamine hydrochloride
MOLECULAR FORMULA: C11H16ClN
MOLECULAR WEIGHT: 197.70444
SMILES: C1CC(C1)NCC2=CC=CC=C2.Cl
CAS RN: 153214-83-6
CAS Name: 2,2-dimethoxy-3-prop-2-enoxy-1-propanol
OPENEYE Name: 3-allyloxy-2,2-dimethoxy-propan-1-ol
IUPAC Name: 2,2-dimethoxy-3-prop-2-enoxypropan-1-ol
SYSTEMATIC NAME: 2,2-dimethoxy-3-prop-2-enoxy-propan-1-ol
MOLECULAR FORMULA: C8H16O4
MOLECULAR WEIGHT: 176.21024
SMILES: COC(CO)(COCC=C)OC
CAS RN: 760990-10-1
CAS Name: 2-amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
OPENEYE Name: 2-amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
IUPAC Name: 2-amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
SYSTEMATIC NAME: 2-azanyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
MOLECULAR FORMULA: C12H18BNO3
MOLECULAR WEIGHT: 235.08722
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)O)N
CAS RN: 1025719-23-6
CAS Name: 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole
OPENEYE Name: 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole
IUPAC Name: 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole
SYSTEMATIC NAME: 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole
MOLECULAR FORMULA: C11H16BF3N2O2
MOLECULAR WEIGHT: 276.06315
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=NN2C)C(F)(F)F
CAS RN: 494752-42-0
CAS Name: (4-amino-3-fluorophenyl)boronic acid hydrochloride
OPENEYE Name: (4-amino-3-fluoro-phenyl)boronic acid hydrochloride
IUPAC Name: (4-amino-3-fluorophenyl)boronic acid hydrochloride
SYSTEMATIC NAME: (4-azanyl-3-fluoranyl-phenyl)boronic acid hydrochloride
MOLECULAR FORMULA: C6H8BClFNO2
MOLECULAR WEIGHT: 191.395623
SMILES: B(C1=CC(=C(C=C1)N)F)(O)O.Cl
CAS RN: 189132-01-2
CAS Name: N-[(4-iodophenyl)methyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(4-iodophenyl)methyl]carbamate
IUPAC Name: tert-butyl N-[(4-iodophenyl)methyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(4-iodophenyl)methyl]carbamate
MOLECULAR FORMULA: C12H16INO2
MOLECULAR WEIGHT: 333.16541
SMILES: CC(C)(C)OC(=O)NCC1=CC=C(C=C1)I
CAS RN: 1007206-54-3
CAS Name: 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole
OPENEYE Name: 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole
IUPAC Name: 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole
SYSTEMATIC NAME: 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole
MOLECULAR FORMULA: C13H17BN2O2
MOLECULAR WEIGHT: 244.09728
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=CN3
CAS RN: 1171919-98-4
CAS Name: 5-methoxy-6-oxo-1H-pyridine-3-carboxylic acid
OPENEYE Name: 5-methoxy-6-oxo-1H-pyridine-3-carboxylic acid
IUPAC Name: 5-methoxy-6-oxo-1H-pyridine-3-carboxylic acid
SYSTEMATIC NAME: 5-methoxy-6-oxidanylidene-1H-pyridine-3-carboxylic acid
MOLECULAR FORMULA: C7H7NO4
MOLECULAR WEIGHT: 169.13478
SMILES: COC1=CC(=CNC1=O)C(=O)O
CAS RN: 479622-36-1
CAS Name: 3-(iodomethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 3-(iodomethyl)pyrrolidine-1-carboxylate
IUPAC Name: tert-butyl 3-(iodomethyl)pyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 3-(iodanylmethyl)pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C10H18INO2
MOLECULAR WEIGHT: 311.15989
SMILES: CC(C)(C)OC(=O)N1CCC(C1)CI
CAS RN: 889062-05-9
CAS Name: N-tert-butyl-3-oxo-5-propan-2-yl-1H-1,2,4-triazole-2-carboxamide
OPENEYE Name: N-tert-butyl-5-isopropyl-3-oxo-1H-1,2,4-triazole-2-carboxamide
IUPAC Name: N-tert-butyl-3-oxo-5-propan-2-yl-1H-1,2,4-triazole-2-carboxamide
SYSTEMATIC NAME: N-tert-butyl-3-oxidanylidene-5-propan-2-yl-1H-1,2,4-triazole-2-carboxamide
MOLECULAR FORMULA: C10H18N4O2
MOLECULAR WEIGHT: 226.27552
SMILES: CC(C)C1=NC(=O)N(N1)C(=O)NC(C)(C)C
CAS RN: 1108656-90-1
CAS Name: 4-methylbenzenesulfonic acid; N-methyl-5-hexen-1-amine
OPENEYE Name: 4-methylbenzenesulfonic acid; N-methylhex-5-en-1-amine
IUPAC Name: 4-methylbenzenesulfonic acid; N-methylhex-5-en-1-amine
SYSTEMATIC NAME: 4-methylbenzenesulfonic acid; N-methylhex-5-en-1-amine
MOLECULAR FORMULA: C14H23NO3S
MOLECULAR WEIGHT: 285.40232
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CNCCCCC=C
CAS RN: 61827-59-6
CAS Name: 1,3-dibromo-4-methoxy-2-methyl-5-nitrobenzene
OPENEYE Name: 1,3-dibromo-4-methoxy-2-methyl-5-nitro-benzene
IUPAC Name: 1,3-dibromo-4-methoxy-2-methyl-5-nitrobenzene
SYSTEMATIC NAME: 1,3-bis(bromanyl)-4-methoxy-2-methyl-5-nitro-benzene
MOLECULAR FORMULA: C8H7Br2NO3
MOLECULAR WEIGHT: 324.95408
SMILES: CC1=C(C=C(C(=C1Br)OC)[N+](=O)[O-])Br
CAS RN: 1150114-75-2
CAS Name: [6-(1-pyrrolidinyl)-3-pyridinyl]boronic acid
OPENEYE Name: (6-pyrrolidin-1-yl-3-pyridyl)boronic acid
IUPAC Name: (6-pyrrolidin-1-ylpyridin-3-yl)boronic acid
SYSTEMATIC NAME: (6-pyrrolidin-1-ylpyridin-3-yl)boronic acid
MOLECULAR FORMULA: C9H13BN2O2
MOLECULAR WEIGHT: 192.02272
SMILES: B(C1=CN=C(C=C1)N2CCCC2)(O)O
CAS RN: 642494-37-9
CAS Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indole
OPENEYE Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indole
IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indole
SYSTEMATIC NAME: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indole
MOLECULAR FORMULA: C14H18BNO2
MOLECULAR WEIGHT: 243.10922
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C3CC=NC3=CC=C2
CAS RN: 1000522-43-9
CAS Name: 2-(5-chloro-2-pyridinyl)acetic acid
OPENEYE Name: 2-(5-chloro-2-pyridyl)acetic acid
IUPAC Name: 2-(5-chloropyridin-2-yl)acetic acid
SYSTEMATIC NAME: 2-(5-chloranylpyridin-2-yl)ethanoic acid
MOLECULAR FORMULA: C7H6ClNO2
MOLECULAR WEIGHT: 171.58104
SMILES: C1=CC(=NC=C1Cl)CC(=O)O
CAS RN: 140430-54-2
CAS Name: (2S)-3-(2,4-dinitroanilino)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid
OPENEYE Name: (2S)-3-(2,4-dinitroanilino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
IUPAC Name: (2S)-3-(2,4-dinitroanilino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
SYSTEMATIC NAME: (2S)-3-[(2,4-dinitrophenyl)amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
MOLECULAR FORMULA: C24H20N4O8
MOLECULAR WEIGHT: 492.4376
SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C(=O)O
CAS RN: 1185294-70-5
CAS Name: 3-(1-piperazinylmethyl)-1H-indole hydrochloride
OPENEYE Name: 3-(piperazin-1-ylmethyl)-1H-indole hydrochloride
IUPAC Name: 3-(piperazin-1-ylmethyl)-1H-indole hydrochloride
SYSTEMATIC NAME: 3-(piperazin-1-ylmethyl)-1H-indole hydrochloride
MOLECULAR FORMULA: C13H18ClN3
MOLECULAR WEIGHT: 251.75512
SMILES: C1CN(CCN1)CC2=CNC3=CC=CC=C32.Cl
CAS RN: 474310-74-2
CAS Name: 2-(3-pyridinyl)ethanimidamide dihydrochloride
OPENEYE Name: 2-(3-pyridyl)acetamidine dihydrochloride
IUPAC Name: 2-pyridin-3-ylethanimidamide dihydrochloride
SYSTEMATIC NAME: 2-pyridin-3-ylethanimidamide dihydrochloride
MOLECULAR FORMULA: C7H11Cl2N3
MOLECULAR WEIGHT: 208.08834
SMILES: C1=CC(=CN=C1)CC(=N)N.Cl.Cl
CAS RN: 114986-37-7
CAS Name: 2-(3-methoxyphenoxy)ethanimidamide hydrochloride
OPENEYE Name: 2-(3-methoxyphenoxy)acetamidine hydrochloride
IUPAC Name: 2-(3-methoxyphenoxy)ethanimidamide hydrochloride
SYSTEMATIC NAME: 2-(3-methoxyphenoxy)ethanimidamide hydrochloride
MOLECULAR FORMULA: C9H13ClN2O2
MOLECULAR WEIGHT: 216.66472
SMILES: COC1=CC(=CC=C1)OCC(=N)N.Cl
CAS RN: 1040682-76-5
CAS Name: (5-chloro-4-iodo-1-pyrrolo[2,3-b]pyridinyl)-tri(propan-2-yl)silane
OPENEYE Name: (5-chloro-4-iodo-pyrrolo[2,3-b]pyridin-1-yl)-triisopropyl-silane
IUPAC Name: (5-chloro-4-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
SYSTEMATIC NAME: (5-chloranyl-4-iodanyl-pyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
MOLECULAR FORMULA: C16H24ClIN2Si
MOLECULAR WEIGHT: 434.81813
SMILES: CC(C)[Si](C(C)C)(C(C)C)N1C=CC2=C(C(=CN=C21)Cl)I
CAS RN: 675112-58-0
CAS Name: 3-oxanamine hydrochloride
OPENEYE Name: tetrahydropyran-3-amine hydrochloride
IUPAC Name: oxan-3-amine hydrochloride
SYSTEMATIC NAME: oxan-3-amine hydrochloride
MOLECULAR FORMULA: C5H12ClNO
MOLECULAR WEIGHT: 137.60788
SMILES: C1CC(COC1)N.Cl
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