CAS RN: 83359-86-8
CAS Name: 6H-benzo[c][1]benzopyran-6-carboxylic acid 2-(dimethylamino)ethyl ester
OPENEYE Name: 2-(dimethylamino)ethyl 6H-benzo[c]chromene-6-carboxylate
IUPAC Name: 2-(dimethylamino)ethyl 6H-benzo[c]chromene-6-carboxylate
SYSTEMATIC NAME: 2-(dimethylamino)ethyl 6H-benzo[c]chromene-6-carboxylate
MOLECULAR FORMULA: C18H19NO3
MOLECULAR WEIGHT: 297.34836
SMILES: CN(C)CCOC(=O)C1C2=CC=CC=C2C3=CC=CC=C3O1
Structure:
CAS RN: 83359-86-8
CAS Name: 6H-benzo[c][1]benzopyran-6-carboxylic acid 2-(dimethylamino)ethyl ester hydrochloride
OPENEYE Name: 2-(dimethylamino)ethyl 6H-benzo[c]chromene-6-carboxylate hydrochloride
IUPAC Name: 2-(dimethylamino)ethyl 6H-benzo[c]chromene-6-carboxylate hydrochloride
SYSTEMATIC NAME: 2-(dimethylamino)ethyl 6H-benzo[c]chromene-6-carboxylate hydrochloride
MOLECULAR FORMULA: C18H20ClNO3
MOLECULAR WEIGHT: 333.8093
SMILES: CN(C)CCOC(=O)C1C2=CC=CC=C2C3=CC=CC=C3O1.Cl
Structure:
CAS RN: 82158-26-7
CAS Name: 1-(2-benzofuranyl)-1-(4-chlorophenyl)-2-phenylethanol
OPENEYE Name: 1-(benzofuran-2-yl)-1-(4-chlorophenyl)-2-phenyl-ethanol
IUPAC Name: 1-(1-benzofuran-2-yl)-1-(4-chlorophenyl)-2-phenylethanol
SYSTEMATIC NAME: 1-(1-benzofuran-2-yl)-1-(4-chlorophenyl)-2-phenyl-ethanol
MOLECULAR FORMULA: C22H17ClO2
MOLECULAR WEIGHT: 348.82218
SMILES: C1=CC=C(C=C1)CC(C2=CC=C(C=C2)Cl)(C3=CC4=CC=CC=C4O3)O
Structure:
CAS RN: 82109-83-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H24N2O
MOLECULAR WEIGHT: 248.36386
SMILES: C1CCN2C[C@H]3C[C@@H]([C@H]2C1)C(=O)N4[C@@H]3CCCC4
Structure:
CAS RN: 81901-12-4
CAS Name: 1-tert-butyl-2-chloro-4-methylbenzene
OPENEYE Name: 1-tert-butyl-2-chloro-4-methyl-benzene
IUPAC Name: 1-tert-butyl-2-chloro-4-methylbenzene
SYSTEMATIC NAME: 1-tert-butyl-2-chloranyl-4-methyl-benzene
MOLECULAR FORMULA: C11H15Cl
MOLECULAR WEIGHT: 182.6898
SMILES: CC1=CC(=C(C=C1)C(C)(C)C)Cl
Structure:
CAS RN: 81613-60-7
CAS Name: 1-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl]-4-tert-butylpiperidine hydrochloride
OPENEYE Name: 1-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl]-4-tert-butyl-piperidine hydrochloride
IUPAC Name: 1-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl]-4-tert-butylpiperidine hydrochloride
SYSTEMATIC NAME: 1-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-ynyl]-4-tert-butyl-piperidine hydrochloride
MOLECULAR FORMULA: C20H24ClF6N
MOLECULAR WEIGHT: 427.854679
SMILES: CC(C)(C)C1CCN(CC1)CC#CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F.Cl
Structure:
CAS RN: 81356-60-7
CAS Name: 1-cyclopropyl-3-(2,5-difluorophenyl)urea
OPENEYE Name: 1-cyclopropyl-3-(2,5-difluorophenyl)urea
IUPAC Name: 1-cyclopropyl-3-(2,5-difluorophenyl)urea
SYSTEMATIC NAME: 1-[2,5-bis(fluoranyl)phenyl]-3-cyclopropyl-urea
MOLECULAR FORMULA: C10H10F2N2O
MOLECULAR WEIGHT: 212.196006
SMILES: C1CC1NC(=O)NC2=C(C=CC(=C2)F)F
Structure:
CAS RN: 80984-67-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H16N2
MOLECULAR WEIGHT: 308.37584
SMILES: C1=CC=C2C(=C1)C3C(N3)C4=CC5=C(C=C24)C6C(N6)C7=CC=CC=C75
Structure:
CAS RN: 80984-66-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H12N2
MOLECULAR WEIGHT: 232.27988
SMILES: C1=CC2=C3C(=C1)C4C(N4)C5=CC=CC(=C53)C6C2N6
Structure:
CAS RN: 80866-93-9
CAS Name: 2,2-dimethyl-4-oxo-3H-pyran-6-carboxylic acid
OPENEYE Name: 2,2-dimethyl-4-oxo-3H-pyran-6-carboxylic acid
IUPAC Name: 2,2-dimethyl-4-oxo-3H-pyran-6-carboxylic acid
SYSTEMATIC NAME: 2,2-dimethyl-4-oxidanylidene-3H-pyran-6-carboxylic acid
MOLECULAR FORMULA: C8H10O4
MOLECULAR WEIGHT: 170.1626
SMILES: CC1(CC(=O)C=C(O1)C(=O)O)C
Structure:
CAS RN: 80866-84-8
CAS Name: 1-ethyl-3-pyridin-1-iumol bromide
OPENEYE Name: 1-ethylpyridin-1-ium-3-ol bromide
IUPAC Name: 1-ethylpyridin-1-ium-3-ol bromide
SYSTEMATIC NAME: 1-ethylpyridin-1-ium-3-ol bromide
MOLECULAR FORMULA: C7H10BrNO
MOLECULAR WEIGHT: 204.0644
SMILES: CC[N+]1=CC=CC(=C1)O.[Br-]
Structure:
CAS RN: 79985-91-4
CAS Name: 2-(dimethoxyphosphorylthio)propane
OPENEYE Name: 2-dimethoxyphosphorylsulfanylpropane
IUPAC Name: 2-dimethoxyphosphorylsulfanylpropane
SYSTEMATIC NAME: 2-dimethoxyphosphorylsulfanylpropane
MOLECULAR FORMULA: C5H13O3PS
MOLECULAR WEIGHT: 184.193681
SMILES: CC(C)SP(=O)(OC)OC
Structure:
CAS RN: 79959-61-8
CAS Name: 1-(3-benzofuranyl)-4-(phenylmethyl)piperazine
OPENEYE Name: 1-(benzofuran-3-yl)-4-benzyl-piperazine
IUPAC Name: 1-(1-benzofuran-3-yl)-4-benzylpiperazine
SYSTEMATIC NAME: 1-(1-benzofuran-3-yl)-4-(phenylmethyl)piperazine
MOLECULAR FORMULA: C19H20N2O
MOLECULAR WEIGHT: 292.3749
SMILES: C1CN(CCN1CC2=CC=CC=C2)C3=COC4=CC=CC=C43
Structure:
CAS RN: 79781-87-6
CAS Name: 3-pyridinecarboxylic acid (2-tert-butyl-4-cyclohexylphenyl) ester
OPENEYE Name: (2-tert-butyl-4-cyclohexyl-phenyl) pyridine-3-carboxylate
IUPAC Name: (2-tert-butyl-4-cyclohexylphenyl) pyridine-3-carboxylate
SYSTEMATIC NAME: (2-tert-butyl-4-cyclohexyl-phenyl) pyridine-3-carboxylate
MOLECULAR FORMULA: C22H27NO2
MOLECULAR WEIGHT: 337.45528
SMILES: CC(C)(C)C1=C(C=CC(=C1)C2CCCCC2)OC(=O)C3=CN=CC=C3
Structure:
CAS RN: 78400-41-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H17N
MOLECULAR WEIGHT: 283.36638
SMILES: CC1=C2CCC3=C2C(=CC4=C3C5C(N5)C6=CC=CC=C64)C=C1
Structure:
CAS RN: 78081-80-8
CAS Name: carbamic acid [7-[[(3-carbamoyloxy-2,2-dimethyl-3H-benzofuran-7-yl)methyltrisulfanyl]methyl]-2,2-dimethyl-3H-benzofuran-3-yl] ester
OPENEYE Name: [7-[[(3-carbamoyloxy-2,2-dimethyl-3H-benzofuran-7-yl)methyltrisulfanyl]methyl]-2,2-dimethyl-3H-benzofuran-3-yl] carbamate
IUPAC Name: [7-[[(3-carbamoyloxy-2,2-dimethyl-3H-1-benzofuran-7-yl)methyltrisulfanyl]methyl]-2,2-dimethyl-3H-1-benzofuran-3-yl] carbamate
SYSTEMATIC NAME: [7-[[(3-aminocarbonyloxy-2,2-dimethyl-3H-1-benzofuran-7-yl)methyltrisulfanyl]methyl]-2,2-dimethyl-3H-1-benzofuran-3-yl] carbamate
MOLECULAR FORMULA: C24H28N2O6S3
MOLECULAR WEIGHT: 536.68392
SMILES: CC1(C(C2=C(O1)C(=CC=C2)CSSSCC3=CC=CC4=C3OC(C4OC(=O)N)(C)C)OC(=O)N)C
Structure:
CAS RN: 77967-24-9
CAS Name: 2-[[2-(diethylamino)-1-oxoethyl]amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 2-[[2-(diethylamino)acetyl]amino]benzoate
IUPAC Name: ethyl 2-[[2-(diethylamino)acetyl]amino]benzoate
SYSTEMATIC NAME: ethyl 2-[2-(diethylamino)ethanoylamino]benzoate
MOLECULAR FORMULA: C15H22N2O3
MOLECULAR WEIGHT: 278.34678
SMILES: CCN(CC)CC(=O)NC1=CC=CC=C1C(=O)OCC
Structure:
CAS RN: 77967-24-9
CAS Name: 2-[[2-(diethylamino)-1-oxoethyl]amino]benzoic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 2-[[2-(diethylamino)acetyl]amino]benzoate hydrochloride
IUPAC Name: ethyl 2-[[2-(diethylamino)acetyl]amino]benzoate hydrochloride
SYSTEMATIC NAME: ethyl 2-[2-(diethylamino)ethanoylamino]benzoate hydrochloride
MOLECULAR FORMULA: C15H23ClN2O3
MOLECULAR WEIGHT: 314.80772
SMILES: CCN(CC)CC(=O)NC1=CC=CC=C1C(=O)OCC.Cl
Structure:
CAS RN: 77528-68-8
CAS Name: N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine hydrochloride
OPENEYE Name: N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine hydrochloride
IUPAC Name: N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine hydrochloride
SYSTEMATIC NAME: N-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine hydrochloride
MOLECULAR FORMULA: C10H17ClN2S
MOLECULAR WEIGHT: 232.77338
SMILES: CC1=NC2=C(S1)CCC(C2)CNC.Cl
Structure:
CAS RN: 76919-33-0
CAS Name: 5-(2-oxiranylmethoxy)-1,2-benzothiazole
OPENEYE Name: 5-(oxiran-2-ylmethoxy)-1,2-benzothiazole
IUPAC Name: 5-(oxiran-2-ylmethoxy)-1,2-benzothiazole
SYSTEMATIC NAME: 5-(oxiran-2-ylmethoxy)-1,2-benzothiazole
MOLECULAR FORMULA: C10H9NO2S
MOLECULAR WEIGHT: 207.24896
SMILES: C1C(O1)COC2=CC3=C(C=C2)SN=C3
Structure:
CAS RN: 76840-11-4
CAS Name: 2,3,4,5-tetrachloro-6-(dichloromethyl)pyridine
OPENEYE Name: 2,3,4,5-tetrachloro-6-(dichloromethyl)pyridine
IUPAC Name: 2,3,4,5-tetrachloro-6-(dichloromethyl)pyridine
SYSTEMATIC NAME: 2-[bis(chloranyl)methyl]-3,4,5,6-tetrakis(chloranyl)pyridine
MOLECULAR FORMULA: C6HCl6N
MOLECULAR WEIGHT: 299.79684
SMILES: C1(=C(C(=NC(=C1Cl)Cl)C(Cl)Cl)Cl)Cl
Structure:
CAS RN: 76505-58-3
CAS Name: N-(2,2,6,6-tetramethyl-4-piperidinyl)-3-[(2,2,6,6-tetramethyl-4-piperidinyl)amino]propanamide
OPENEYE Name: N-(2,2,6,6-tetramethyl-4-piperidyl)-3-[(2,2,6,6-tetramethyl-4-piperidyl)amino]propanamide
IUPAC Name: N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanamide
SYSTEMATIC NAME: N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propanamide
MOLECULAR FORMULA: C21H42N4O
MOLECULAR WEIGHT: 366.58438
SMILES: CC1(CC(CC(N1)(C)C)NCCC(=O)NC2CC(NC(C2)(C)C)(C)C)C
Structure:
CAS RN: 57653-29-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H31NO
MOLECULAR WEIGHT: 313.47694
SMILES: CCC12CCN(C(C1(C)C)CC3=C2C=C(C=C3)O)CC4CCC4
Structure:
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