CAS RN: 7556-63-0
CAS Name: 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid methyl ester
OPENEYE Name: methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate
IUPAC Name: methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate
SYSTEMATIC NAME: methyl 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate
MOLECULAR FORMULA: C11H11NO3S
MOLECULAR WEIGHT: 237.27494
SMILES: COC(=O)CC1C(=O)NC2=CC=CC=C2S1
Structure:
CAS RN: 33858-36-5
CAS Name: 2-[6-(1,3-benzoxazol-2-yl)-2-pyridinyl]-1,3-benzoxazole
OPENEYE Name: 2-[6-(1,3-benzoxazol-2-yl)-2-pyridyl]-1,3-benzoxazole
IUPAC Name: 2-[6-(1,3-benzoxazol-2-yl)pyridin-2-yl]-1,3-benzoxazole
SYSTEMATIC NAME: 2-[6-(1,3-benzoxazol-2-yl)pyridin-2-yl]-1,3-benzoxazole
MOLECULAR FORMULA: C19H11N3O2
MOLECULAR WEIGHT: 313.30954
SMILES: C1=CC=C2C(=C1)N=C(O2)C3=NC(=CC=C3)C4=NC5=CC=CC=C5O4
Structure:
CAS RN: 3946-62-1
CAS Name: N-[2-(cyclohexylamino)-1-(2-furanyl)-2-oxoethyl]-N-cyclopentyl-4-thiadiazolecarboxamide
OPENEYE Name: N-[2-(cyclohexylamino)-1-(2-furyl)-2-oxo-ethyl]-N-cyclopentyl-thiadiazole-4-carboxamide
IUPAC Name: N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-cyclopentylthiadiazole-4-carboxamide
SYSTEMATIC NAME: N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxidanylidene-ethyl]-N-cyclopentyl-1,2,3-thiadiazole-4-carboxamide
MOLECULAR FORMULA: C20H26N4O3S
MOLECULAR WEIGHT: 402.51044
SMILES: C1CCC(CC1)NC(=O)C(C2=CC=CO2)N(C3CCCC3)C(=O)C4=CSN=N4
Structure:
CAS RN: 6379-29-9
CAS Name: 1-(2-methoxyphenyl)-3-(3-methyl-2-pyridinyl)urea
OPENEYE Name: 1-(2-methoxyphenyl)-3-(3-methyl-2-pyridyl)urea
IUPAC Name: 1-(2-methoxyphenyl)-3-(3-methylpyridin-2-yl)urea
SYSTEMATIC NAME: 1-(2-methoxyphenyl)-3-(3-methylpyridin-2-yl)urea
MOLECULAR FORMULA: C14H15N3O2
MOLECULAR WEIGHT: 257.2878
SMILES: CC1=C(N=CC=C1)NC(=O)NC2=CC=CC=C2OC
Structure:
CAS RN: 72548-79-9
CAS Name: 3-(1-pyrrolidinyl)benzoic acid
OPENEYE Name: 3-pyrrolidin-1-ylbenzoic acid
IUPAC Name: 3-pyrrolidin-1-ylbenzoic acid
SYSTEMATIC NAME: 3-pyrrolidin-1-ylbenzoic acid
MOLECULAR FORMULA: C11H13NO2
MOLECULAR WEIGHT: 191.22642
SMILES: C1CCN(C1)C2=CC=CC(=C2)C(=O)O
Structure:
CAS RN: 436811-00-6
CAS Name: 2-[(4-methyl-1-piperazinyl)-oxomethyl]-3-bicyclo[2.2.1]hept-5-enecarboxylic acid
OPENEYE Name: 2-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid
IUPAC Name: 2-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid
SYSTEMATIC NAME: 2-(4-methylpiperazin-1-yl)carbonylbicyclo[2.2.1]hept-5-ene-3-carboxylic acid
MOLECULAR FORMULA: C14H20N2O3
MOLECULAR WEIGHT: 264.3202
SMILES: CN1CCN(CC1)C(=O)C2C3CC(C2C(=O)O)C=C3
Structure:
CAS RN: 909092-64-4
CAS Name: 5-(5-methyl-2-furanyl)-1H-pyrazole-3-carboxylic acid
OPENEYE Name: 5-(5-methyl-2-furyl)-1H-pyrazole-3-carboxylic acid
IUPAC Name: 5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxylic acid
SYSTEMATIC NAME: 5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxylic acid
MOLECULAR FORMULA: C9H8N2O3
MOLECULAR WEIGHT: 192.17142
SMILES: CC1=CC=C(O1)C2=CC(=NN2)C(=O)O
Structure:
CAS RN: 328117-25-5
CAS Name: 4-aminobenzoic acid 3-(1H-benzimidazol-2-yl)propyl ester
OPENEYE Name: 3-(1H-benzimidazol-2-yl)propyl 4-aminobenzoate
IUPAC Name: 3-(1H-benzimidazol-2-yl)propyl 4-aminobenzoate
SYSTEMATIC NAME: 3-(1H-benzimidazol-2-yl)propyl 4-azanylbenzoate
MOLECULAR FORMULA: C17H17N3O2
MOLECULAR WEIGHT: 295.33578
SMILES: C1=CC=C2C(=C1)NC(=N2)CCCOC(=O)C3=CC=C(C=C3)N
Structure:
CAS RN: 797806-96-3
CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)-3-methylaniline
OPENEYE Name: 4-(2,5-dimethylpyrrol-1-yl)-3-methyl-aniline
IUPAC Name: 4-(2,5-dimethylpyrrol-1-yl)-3-methylaniline
SYSTEMATIC NAME: 4-(2,5-dimethylpyrrol-1-yl)-3-methyl-aniline
MOLECULAR FORMULA: C13H16N2
MOLECULAR WEIGHT: 200.27954
SMILES: CC1=CC=C(N1C2=C(C=C(C=C2)N)C)C
Structure:
CAS RN: 3920-48-7
CAS Name: 2-(benzenesulfonamido)-N-cyclopentyl-N-[2-(2-furanylmethylamino)-2-oxoethyl]acetamide
OPENEYE Name: 2-(benzenesulfonamido)-N-cyclopentyl-N-[2-(2-furylmethylamino)-2-oxo-ethyl]acetamide
IUPAC Name: 2-(benzenesulfonamido)-N-cyclopentyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
SYSTEMATIC NAME: N-cyclopentyl-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-2-(phenylsulfonylamino)ethanamide
MOLECULAR FORMULA: C20H25N3O5S
MOLECULAR WEIGHT: 419.4946
SMILES: C1CCC(C1)N(CC(=O)NCC2=CC=CO2)C(=O)CNS(=O)(=O)C3=CC=CC=C3
Structure:
CAS RN: 87215-91-6
CAS Name: 6-anilino-5,5-diethyl-3-methylpyrimidine-2,4-dione
OPENEYE Name: 6-anilino-5,5-diethyl-3-methyl-pyrimidine-2,4-dione
IUPAC Name: 6-anilino-5,5-diethyl-3-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: 5,5-diethyl-3-methyl-6-phenylazanyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C15H19N3O2
MOLECULAR WEIGHT: 273.33026
SMILES: CCC1(C(=NC(=O)N(C1=O)C)NC2=CC=CC=C2)CC
Structure:
CAS RN: 66053-93-8
CAS Name: 2-(3,4,5-trimethyl-1-pyrazolyl)acetic acid
OPENEYE Name: 2-(3,4,5-trimethylpyrazol-1-yl)acetic acid
IUPAC Name: 2-(3,4,5-trimethylpyrazol-1-yl)acetic acid
SYSTEMATIC NAME: 2-(3,4,5-trimethylpyrazol-1-yl)ethanoic acid
MOLECULAR FORMULA: C8H12N2O2
MOLECULAR WEIGHT: 168.19308
SMILES: CC1=C(N(N=C1C)CC(=O)O)C
Structure:
CAS RN: 6223-52-5
CAS Name: 2-phenoxy-N-(3-pyridinylmethyl)propanamide
OPENEYE Name: 2-phenoxy-N-(3-pyridylmethyl)propanamide
IUPAC Name: 2-phenoxy-N-(pyridin-3-ylmethyl)propanamide
SYSTEMATIC NAME: 2-phenoxy-N-(pyridin-3-ylmethyl)propanamide
MOLECULAR FORMULA: C15H16N2O2
MOLECULAR WEIGHT: 256.29974
SMILES: CC(C(=O)NCC1=CN=CC=C1)OC2=CC=CC=C2
Structure:
CAS RN: 37478-58-3
CAS Name: 2-(1-piperazinyl)acetic acid
OPENEYE Name: 2-piperazin-1-ylacetic acid
IUPAC Name: 2-piperazin-1-ylacetic acid
SYSTEMATIC NAME: 2-piperazin-1-ylethanoic acid
MOLECULAR FORMULA: C6H12N2O2
MOLECULAR WEIGHT: 144.17168
SMILES: C1CN(CCN1)CC(=O)O
Structure:
CAS RN: 134828-31-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H23N3O2
MOLECULAR WEIGHT: 325.40482
SMILES: CC12CN3CC(C1=O)(CN(C2)C3C4=CNC5=C4C=C(C=C5)OC)C
Structure:
CAS RN: 43070-87-7
CAS Name: 3-(2,5-dimethyl-1-pyrrolyl)-4-methylaniline
OPENEYE Name: 3-(2,5-dimethylpyrrol-1-yl)-4-methyl-aniline
IUPAC Name: 3-(2,5-dimethylpyrrol-1-yl)-4-methylaniline
SYSTEMATIC NAME: 3-(2,5-dimethylpyrrol-1-yl)-4-methyl-aniline
MOLECULAR FORMULA: C13H16N2
MOLECULAR WEIGHT: 200.27954
SMILES: CC1=C(C=C(C=C1)N)N2C(=CC=C2C)C
Structure:
CAS RN: 5540-95-4
CAS Name: N,N'-bis[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]butanediamide
OPENEYE Name: N,N'-bis[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]butanediamide
IUPAC Name: N,N'-bis[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]butanediamide
SYSTEMATIC NAME: N,N'-bis[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]butanediamide
MOLECULAR FORMULA: C24H28N2O6
MOLECULAR WEIGHT: 440.48892
SMILES: CC(C1COC2=CC=CC=C2O1)NC(=O)CCC(=O)NC(C)C3COC4=CC=CC=C4O3
Structure:
CAS RN: 78510-05-1
CAS Name: 1-(methylamino)-3-(2-prop-2-enylphenoxy)-2-propanol
OPENEYE Name: 1-(2-allylphenoxy)-3-(methylamino)propan-2-ol
IUPAC Name: 1-(methylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
SYSTEMATIC NAME: 1-(methylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
MOLECULAR FORMULA: C13H19NO2
MOLECULAR WEIGHT: 221.29546
SMILES: CNCC(COC1=CC=CC=C1CC=C)O
Structure:
CAS RN: 25023-36-3
CAS Name: 2-(2-methyl-1-imidazolyl)acetic acid
OPENEYE Name: 2-(2-methylimidazol-1-yl)acetic acid
IUPAC Name: 2-(2-methylimidazol-1-yl)acetic acid
SYSTEMATIC NAME: 2-(2-methylimidazol-1-yl)ethanoic acid
MOLECULAR FORMULA: C6H8N2O2
MOLECULAR WEIGHT: 140.13992
SMILES: CC1=NC=CN1CC(=O)O
Structure:
CAS RN: 5311-42-2
CAS Name: oxalic acid; N-[(1-phenyl-2-pyrrolyl)methyl]-2-propen-1-amine
OPENEYE Name: oxalic acid; N-[(1-phenylpyrrol-2-yl)methyl]prop-2-en-1-amine
IUPAC Name: oxalic acid; N-[(1-phenylpyrrol-2-yl)methyl]prop-2-en-1-amine
SYSTEMATIC NAME: ethanedioic acid; N-[(1-phenylpyrrol-2-yl)methyl]prop-2-en-1-amine
MOLECULAR FORMULA: C16H18N2O4
MOLECULAR WEIGHT: 302.32512
SMILES: C=CCNCC1=CC=CN1C2=CC=CC=C2.C(=O)(C(=O)O)O
Structure:
CAS RN: 79759-47-0
CAS Name: 6-chloro-3-phenyl-1H-benzimidazol-2-one
OPENEYE Name: 6-chloro-3-phenyl-1H-benzimidazol-2-one
IUPAC Name: 6-chloro-3-phenyl-1H-benzimidazol-2-one
SYSTEMATIC NAME: 6-chloranyl-3-phenyl-1H-benzimidazol-2-one
MOLECULAR FORMULA: C13H9ClN2O
MOLECULAR WEIGHT: 244.67636
SMILES: C1=CC=C(C=C1)N2C3=C(C=C(C=C3)Cl)NC2=O
Structure:
CAS RN: 5647-19-8
CAS Name: 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N,N-dimethylacetamide
OPENEYE Name: 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N,N-dimethyl-acetamide
IUPAC Name: 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N,N-dimethylacetamide
SYSTEMATIC NAME: 2-[5-chloranyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]-N,N-dimethyl-ethanamide
MOLECULAR FORMULA: C12H15ClN2O3
MOLECULAR WEIGHT: 270.7121
SMILES: CN(C)C(=O)CN1C(=O)C2CC=C(CC2C1=O)Cl
Structure:
CAS RN: 4564-64-1
CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid propyl ester
OPENEYE Name: propyl 2-oxo-1H-quinoline-4-carboxylate
IUPAC Name: propyl 2-oxo-1H-quinoline-4-carboxylate
SYSTEMATIC NAME: propyl 2-oxidanylidene-1H-quinoline-4-carboxylate
MOLECULAR FORMULA: C13H13NO3
MOLECULAR WEIGHT: 231.24722
SMILES: CCCOC(=O)C1=CC(=O)NC2=CC=CC=C21
Structure:
CAS RN: 5882-96-2
CAS Name: N-(2-phenyl-3-imidazo[1,2-a]pyridinyl)-2-furancarboxamide
OPENEYE Name: N-(2-phenylimidazo[1,2-a]pyridin-3-yl)furan-2-carboxamide
IUPAC Name: N-(2-phenylimidazo[1,2-a]pyridin-3-yl)furan-2-carboxamide
SYSTEMATIC NAME: N-(2-phenylimidazo[1,2-a]pyridin-3-yl)furan-2-carboxamide
MOLECULAR FORMULA: C18H13N3O2
MOLECULAR WEIGHT: 303.31472
SMILES: C1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)NC(=O)C4=CC=CO4
Structure:
CAS RN: 3528-49-2
CAS Name: 4-methyl-2-(phenylmethyl)-3-pyrazolamine
OPENEYE Name: 2-benzyl-4-methyl-pyrazol-3-amine
IUPAC Name: 2-benzyl-4-methylpyrazol-3-amine
SYSTEMATIC NAME: 4-methyl-2-(phenylmethyl)pyrazol-3-amine
MOLECULAR FORMULA: C11H13N3
MOLECULAR WEIGHT: 187.24102
SMILES: CC1=C(N(N=C1)CC2=CC=CC=C2)N
Structure:
CAS RN: 435342-18-0
CAS Name: 4-aminobenzoic acid 1H-benzimidazol-2-ylmethyl ester
OPENEYE Name: 1H-benzimidazol-2-ylmethyl 4-aminobenzoate
IUPAC Name: 1H-benzimidazol-2-ylmethyl 4-aminobenzoate
SYSTEMATIC NAME: 1H-benzimidazol-2-ylmethyl 4-azanylbenzoate
MOLECULAR FORMULA: C15H13N3O2
MOLECULAR WEIGHT: 267.28262
SMILES: C1=CC=C2C(=C1)NC(=N2)COC(=O)C3=CC=C(C=C3)N
Structure:
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