CAS RN: 130598-03-7
CAS Name: 4-(2-furanyl)-3,4,4a,12a-tetrahydro-1H-tetracene-2,5,6,11,12-pentone
OPENEYE Name: 4-(2-furyl)-3,4,4a,12a-tetrahydro-1H-tetracene-2,5,6,11,12-pentone
IUPAC Name: 4-(furan-2-yl)-3,4,4a,12a-tetrahydro-1H-tetracene-2,5,6,11,12-pentone
SYSTEMATIC NAME: 4-(furan-2-yl)-3,4,4a,12a-tetrahydro-1H-tetracene-2,5,6,11,12-pentone
MOLECULAR FORMULA: C22H14O6
MOLECULAR WEIGHT: 374.34296
SMILES: C1C(C2C(CC1=O)C(=O)C3=C(C2=O)C(=O)C4=CC=CC=C4C3=O)C5=CC=CO5
Structure:
CAS RN: 130598-02-6
CAS Name: 4-(2-furanyl)-3,4,4a,9a-tetrahydro-1H-anthracene-2,9,10-trione
OPENEYE Name: 4-(2-furyl)-3,4,4a,9a-tetrahydro-1H-anthracene-2,9,10-trione
IUPAC Name: 4-(furan-2-yl)-3,4,4a,9a-tetrahydro-1H-anthracene-2,9,10-trione
SYSTEMATIC NAME: 4-(furan-2-yl)-3,4,4a,9a-tetrahydro-1H-anthracene-2,9,10-trione
MOLECULAR FORMULA: C18H14O4
MOLECULAR WEIGHT: 294.30136
SMILES: C1C(C2C(CC1=O)C(=O)C3=CC=CC=C3C2=O)C4=CC=CO4
Structure:
CAS RN: 130598-01-5
CAS Name: 8-(2-furanyl)-7,8-dihydro-5H-naphthalene-1,4,6-trione
OPENEYE Name: 8-(2-furyl)-7,8-dihydro-5H-naphthalene-1,4,6-trione
IUPAC Name: 8-(furan-2-yl)-7,8-dihydro-5H-naphthalene-1,4,6-trione
SYSTEMATIC NAME: 8-(furan-2-yl)-7,8-dihydro-5H-naphthalene-1,4,6-trione
MOLECULAR FORMULA: C14H10O4
MOLECULAR WEIGHT: 242.2268
SMILES: C1C(C2=C(CC1=O)C(=O)C=CC2=O)C3=CC=CO3
Structure:
CAS RN: 130598-00-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H20O6S
MOLECULAR WEIGHT: 352.4021
SMILES: CCOC(=O)C1C2C1C(=C3C4CCS(=O)(=O)C4=C(CC3=C2O)C)O
Structure:
CAS RN: 130592-05-1
CAS Name: 4-amino-N-[5-amino-2-[[4-amino-3,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-[[6-(aminomethyl)-3,4,5-trihydroxy-2-oxanyl]oxy]-3-hydroxycyclohexyl]-2-fluorobutanamide; carbonic acid
OPENEYE Name: 4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-[6-(aminomethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3-hydroxy-cyclohexyl]-2-fluoro-butanamide; carbonic acid
IUPAC Name: 4-amino-N-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-2-fluorobutanamide; carbonic acid
SYSTEMATIC NAME: N-[4-[6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-4-azanyl-2-fluoranyl-butanamide; carbonic acid
MOLECULAR FORMULA: C23H44FN5O15
MOLECULAR WEIGHT: 649.618363
SMILES: C1C(C(C(C(C1NC(=O)C(CCN)F)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CN)O)O)O)N.C(=O)(O)O
Structure:
CAS RN: 130569-75-4
CAS Name: 2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanol hydrobromide
OPENEYE Name: 2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanol hydrobromide
IUPAC Name: 2-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]ethanol hydrobromide
SYSTEMATIC NAME: 2-[2-azanylidene-6-(trifluoromethyloxy)-1,3-benzothiazol-3-yl]ethanol hydrobromide
MOLECULAR FORMULA: C10H10BrF3N2O2S
MOLECULAR WEIGHT: 359.16281
SMILES: C1=CC2=C(C=C1OC(F)(F)F)SC(=N)N2CCO.Br
Structure:
CAS RN: 130564-60-2
CAS Name: (2-nitrophenyl)-[4-(phenylmethyl)-1-piperazinyl]methanethione hydrochloride
OPENEYE Name: (4-benzylpiperazin-1-yl)-(2-nitrophenyl)methanethione hydrochloride
IUPAC Name: (4-benzylpiperazin-1-yl)-(2-nitrophenyl)methanethione hydrochloride
SYSTEMATIC NAME: (2-nitrophenyl)-[4-(phenylmethyl)piperazin-1-yl]methanethione hydrochloride
MOLECULAR FORMULA: C18H20ClN3O2S
MOLECULAR WEIGHT: 377.8883
SMILES: C1CN(CCN1CC2=CC=CC=C2)C(=S)C3=CC=CC=C3[N+](=O)[O-].Cl
Structure:
CAS RN: 130548-45-7
CAS Name: 7-[(3S)-3-amino-1-pyrrolidinyl]-1-tert-butyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid; methanesulfonic acid
OPENEYE Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-1-tert-butyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid; methanesulfonic acid
IUPAC Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-1-tert-butyl-6-fluoro-4-oxoquinoline-3-carboxylic acid; methanesulfonic acid
SYSTEMATIC NAME: 7-[(3S)-3-azanylpyrrolidin-1-yl]-1-tert-butyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid; methanesulfonic acid
MOLECULAR FORMULA: C19H26FN3O6S
MOLECULAR WEIGHT: 443.489643
SMILES: CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CC[C@@H](C3)N)F)C(=O)O.CS(=O)(=O)O
Structure:
CAS RN: 130533-83-4
CAS Name: N-(2,4,6-trimethylphenyl)carbamic acid [(1R,2S)-2-(diethylaminomethyl)cyclohexyl] ester hydrochloride
OPENEYE Name: [(1R,2S)-2-(diethylaminomethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate hydrochloride
IUPAC Name: [(1R,2S)-2-(diethylaminomethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate hydrochloride
SYSTEMATIC NAME: [(1R,2S)-2-(diethylaminomethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate hydrochloride
MOLECULAR FORMULA: C21H35ClN2O2
MOLECULAR WEIGHT: 382.9678
SMILES: CCN(CC)C[C@@H]1CCCC[C@H]1OC(=O)NC2=C(C=C(C=C2C)C)C.Cl
Structure:
CAS RN: 130533-81-2
CAS Name: N-(2,6-dimethylphenyl)carbamic acid [2-(1-piperidinylmethyl)phenyl] ester hydrochloride
OPENEYE Name: [2-(1-piperidylmethyl)phenyl] N-(2,6-dimethylphenyl)carbamate hydrochloride
IUPAC Name: [2-(piperidin-1-ylmethyl)phenyl] N-(2,6-dimethylphenyl)carbamate hydrochloride
SYSTEMATIC NAME: [2-(piperidin-1-ylmethyl)phenyl] N-(2,6-dimethylphenyl)carbamate hydrochloride
MOLECULAR FORMULA: C21H27ClN2O2
MOLECULAR WEIGHT: 374.90428
SMILES: CC1=C(C(=CC=C1)C)NC(=O)OC2=CC=CC=C2CN3CCCCC3.Cl
Structure:
CAS RN: 130533-80-1
CAS Name: N-(2-octoxyphenyl)carbamic acid [2-(4-morpholinylmethyl)phenyl] ester hydrochloride
OPENEYE Name: [2-(morpholinomethyl)phenyl] N-(2-octoxyphenyl)carbamate hydrochloride
IUPAC Name: [2-(morpholin-4-ylmethyl)phenyl] N-(2-octoxyphenyl)carbamate hydrochloride
SYSTEMATIC NAME: [2-(morpholin-4-ylmethyl)phenyl] N-(2-octoxyphenyl)carbamate hydrochloride
MOLECULAR FORMULA: C26H37ClN2O4
MOLECULAR WEIGHT: 477.03598
SMILES: CCCCCCCCOC1=CC=CC=C1NC(=O)OC2=CC=CC=C2CN3CCOCC3.Cl
Structure:
CAS RN: 130533-79-8
CAS Name: N-(2-hexoxyphenyl)carbamic acid [2-(4-morpholinylmethyl)phenyl] ester hydrochloride
OPENEYE Name: [2-(morpholinomethyl)phenyl] N-(2-hexoxyphenyl)carbamate hydrochloride
IUPAC Name: [2-(morpholin-4-ylmethyl)phenyl] N-(2-hexoxyphenyl)carbamate hydrochloride
SYSTEMATIC NAME: [2-(morpholin-4-ylmethyl)phenyl] N-(2-hexoxyphenyl)carbamate hydrochloride
MOLECULAR FORMULA: C24H33ClN2O4
MOLECULAR WEIGHT: 448.98282
SMILES: CCCCCCOC1=CC=CC=C1NC(=O)OC2=CC=CC=C2CN3CCOCC3.Cl
Structure:
CAS RN: 130533-78-7
CAS Name: N-(2,4,6-trimethylphenyl)carbamic acid [2-(4-morpholinylmethyl)phenyl] ester hydrochloride
OPENEYE Name: [2-(morpholinomethyl)phenyl] N-(2,4,6-trimethylphenyl)carbamate hydrochloride
IUPAC Name: [2-(morpholin-4-ylmethyl)phenyl] N-(2,4,6-trimethylphenyl)carbamate hydrochloride
SYSTEMATIC NAME: [2-(morpholin-4-ylmethyl)phenyl] N-(2,4,6-trimethylphenyl)carbamate hydrochloride
MOLECULAR FORMULA: C21H27ClN2O3
MOLECULAR WEIGHT: 390.90368
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)OC2=CC=CC=C2CN3CCOCC3)C.Cl
Structure:
CAS RN: 130533-77-6
CAS Name: N-(2,6-dimethylphenyl)carbamic acid [2-(4-morpholinylmethyl)phenyl] ester hydrochloride
OPENEYE Name: [2-(morpholinomethyl)phenyl] N-(2,6-dimethylphenyl)carbamate hydrochloride
IUPAC Name: [2-(morpholin-4-ylmethyl)phenyl] N-(2,6-dimethylphenyl)carbamate hydrochloride
SYSTEMATIC NAME: [2-(morpholin-4-ylmethyl)phenyl] N-(2,6-dimethylphenyl)carbamate hydrochloride
MOLECULAR FORMULA: C20H25ClN2O3
MOLECULAR WEIGHT: 376.8771
SMILES: CC1=C(C(=CC=C1)C)NC(=O)OC2=CC=CC=C2CN3CCOCC3.Cl
Structure:
CAS RN: 130533-76-5
CAS Name: N-(2-hexoxyphenyl)carbamic acid [(1R,2S)-2-[(4-methyl-1-piperazinyl)methyl]cyclohexyl] ester dihydrochloride
OPENEYE Name: [(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexyl] N-(2-hexoxyphenyl)carbamate dihydrochloride
IUPAC Name: [(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexyl] N-(2-hexoxyphenyl)carbamate dihydrochloride
SYSTEMATIC NAME: [(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexyl] N-(2-hexoxyphenyl)carbamate dihydrochloride
MOLECULAR FORMULA: C25H43Cl2N3O3
MOLECULAR WEIGHT: 504.53322
SMILES: CCCCCCOC1=CC=CC=C1NC(=O)O[C@@H]2CCCC[C@H]2CN3CCN(CC3)C.Cl.Cl
Structure:
CAS RN: 130533-74-3
CAS Name: N-(2-heptoxyphenyl)carbamic acid [(1R,2R)-2-(4-morpholinylmethyl)cyclohexyl] ester hydrochloride
OPENEYE Name: [(1R,2R)-2-(morpholinomethyl)cyclohexyl] N-(2-heptoxyphenyl)carbamate hydrochloride
IUPAC Name: [(1R,2R)-2-(morpholin-4-ylmethyl)cyclohexyl] N-(2-heptoxyphenyl)carbamate hydrochloride
SYSTEMATIC NAME: [(1R,2R)-2-(morpholin-4-ylmethyl)cyclohexyl] N-(2-heptoxyphenyl)carbamate hydrochloride
MOLECULAR FORMULA: C25H41ClN2O4
MOLECULAR WEIGHT: 469.05704
SMILES: CCCCCCCOC1=CC=CC=C1NC(=O)O[C@@H]2CCCC[C@@H]2CN3CCOCC3.Cl
Structure:
CAS RN: 130533-60-7
CAS Name: N-(2,4,6-trimethylphenyl)carbamic acid [(1R,2S)-2-[(4-methyl-1-piperazinyl)methyl]cyclohexyl] ester
OPENEYE Name: [(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate
IUPAC Name: [(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate
SYSTEMATIC NAME: [(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate
MOLECULAR FORMULA: C22H35N3O2
MOLECULAR WEIGHT: 373.5322
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)O[C@@H]2CCCC[C@H]2CN3CCN(CC3)C)C
Structure:
CAS RN: 130533-46-9
CAS Name: N-(2,4,6-trimethylphenyl)carbamic acid [(1R,2S)-2-(1-piperidinylmethyl)cyclohexyl] ester hydrochloride
OPENEYE Name: [(1R,2S)-2-(1-piperidylmethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate hydrochloride
IUPAC Name: [(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate hydrochloride
SYSTEMATIC NAME: [(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate hydrochloride
MOLECULAR FORMULA: C22H35ClN2O2
MOLECULAR WEIGHT: 394.9785
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)O[C@@H]2CCCC[C@H]2CN3CCCCC3)C.Cl
Structure:
CAS RN: 130533-45-8
CAS Name: N-(2,4,6-trimethylphenyl)carbamic acid [(1R,2S)-2-(1-piperidinylmethyl)cyclohexyl] ester
OPENEYE Name: [(1R,2S)-2-(1-piperidylmethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate
IUPAC Name: [(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate
SYSTEMATIC NAME: [(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate
MOLECULAR FORMULA: C22H34N2O2
MOLECULAR WEIGHT: 358.51756
SMILES: CC1=CC(=C(C(=C1)C)NC(=O)O[C@@H]2CCCC[C@H]2CN3CCCCC3)C
Structure:
CAS RN: 130482-67-6
CAS Name: N-[2-(diethylamino)ethylimino-(2,3-dihydro-1,4-benzodioxin-3-yl)methyl]acetamide hydrochloride
OPENEYE Name: N-[N-[2-(diethylamino)ethyl]-C-(2,3-dihydro-1,4-benzodioxin-3-yl)carbonimidoyl]acetamide hydrochloride
IUPAC Name: N-[N-[2-(diethylamino)ethyl]-C-(2,3-dihydro-1,4-benzodioxin-3-yl)carbonimidoyl]acetamide hydrochloride
SYSTEMATIC NAME: N-[N-[2-(diethylamino)ethyl]-C-(2,3-dihydro-1,4-benzodioxin-3-yl)carbonimidoyl]ethanamide hydrochloride
MOLECULAR FORMULA: C17H26ClN3O3
MOLECULAR WEIGHT: 355.85964
SMILES: CCN(CC)CCN=C(C1COC2=CC=CC=C2O1)NC(=O)C.Cl
Structure:
CAS RN: 130482-66-5
CAS Name: N'-[2-(1-piperidinyl)ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboximidamide hydrochloride
OPENEYE Name: N'-[2-(1-piperidyl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamidine hydrochloride
IUPAC Name: N'-(2-piperidin-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboximidamide hydrochloride
SYSTEMATIC NAME: N'-(2-piperidin-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboximidamide hydrochloride
MOLECULAR FORMULA: C16H24ClN3O2
MOLECULAR WEIGHT: 325.83366
SMILES: C1CCN(CC1)CCN=C(C2COC3=CC=CC=C3O2)N.Cl
Structure:
CAS RN: 130482-64-3
CAS Name: N'-[2-(4-morpholinyl)ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboximidamide dihydrochloride
OPENEYE Name: N'-(2-morpholinoethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamidine dihydrochloride
IUPAC Name: N'-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboximidamide dihydrochloride
SYSTEMATIC NAME: N'-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboximidamide dihydrochloride
MOLECULAR FORMULA: C15H23Cl2N3O3
MOLECULAR WEIGHT: 364.26742
SMILES: C1COCCN1CCN=C(C2COC3=CC=CC=C3O2)N.Cl.Cl
Structure:
CAS RN: 130482-62-1
CAS Name: N'-[2-(diethylamino)ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboximidamide dihydrochloride
OPENEYE Name: N'-[2-(diethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamidine dihydrochloride
IUPAC Name: N'-[2-(diethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboximidamide dihydrochloride
SYSTEMATIC NAME: N'-[2-(diethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboximidamide dihydrochloride
MOLECULAR FORMULA: C15H25Cl2N3O2
MOLECULAR WEIGHT: 350.2839
SMILES: CCN(CC)CCN=C(C1COC2=CC=CC=C2O1)N.Cl.Cl
Structure:
CAS RN: 130444-11-0
CAS Name: 4-bromobenzoic acid 4-(dihexylamino)but-2-ynyl ester
OPENEYE Name: 4-(dihexylamino)but-2-ynyl 4-bromobenzoate
IUPAC Name: 4-(dihexylamino)but-2-ynyl 4-bromobenzoate
SYSTEMATIC NAME: 4-(dihexylamino)but-2-ynyl 4-bromanylbenzoate
MOLECULAR FORMULA: C23H34BrNO2
MOLECULAR WEIGHT: 436.42556
SMILES: CCCCCCN(CCCCCC)CC#CCOC(=O)C1=CC=C(C=C1)Br
Structure:
CAS RN: 130435-88-0
CAS Name: 7-[(3S)-3-amino-1-pyrrolidinyl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid hydrochloride
OPENEYE Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid hydrochloride
IUPAC Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid hydrochloride
SYSTEMATIC NAME: 7-[(3S)-3-azanylpyrrolidin-1-yl]-1-tert-butyl-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid hydrochloride
MOLECULAR FORMULA: C17H22ClFN4O3
MOLECULAR WEIGHT: 384.832983
SMILES: CC(C)(C)N1C=C(C(=O)C2=CC(=C(N=C21)N3CC[C@@H](C3)N)F)C(=O)O.Cl
Structure:
CAS RN: 130435-61-9
CAS Name: 7-[(3S)-3-amino-1-pyrrolidinyl]-6-fluoro-1-(1-fluoro-2-methylpropan-2-yl)-4-oxo-3-quinolinecarboxylic acid; methanesulfonic acid
OPENEYE Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-1-(2-fluoro-1,1-dimethyl-ethyl)-4-oxo-quinoline-3-carboxylic acid; methanesulfonic acid
IUPAC Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-1-(1-fluoro-2-methylpropan-2-yl)-4-oxoquinoline-3-carboxylic acid; methanesulfonic acid
SYSTEMATIC NAME: 7-[(3S)-3-azanylpyrrolidin-1-yl]-6-fluoranyl-1-(1-fluoranyl-2-methyl-propan-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid; methanesulfonic acid
MOLECULAR FORMULA: C19H25F2N3O6S
MOLECULAR WEIGHT: 461.480106
SMILES: CC(C)(CF)N1C=C(C(=O)C2=CC(=C(C=C21)N3CC[C@@H](C3)N)F)C(=O)O.CS(=O)(=O)O
Structure:
CAS RN: 130431-19-5
CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-phenyl-1-propanamine hydrochloride
OPENEYE Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-phenyl-propan-1-amine hydrochloride
IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-phenylpropan-1-amine hydrochloride
SYSTEMATIC NAME: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-phenyl-propan-1-amine hydrochloride
MOLECULAR FORMULA: C18H22ClNO2
MOLECULAR WEIGHT: 319.82578
SMILES: CNC(CCC1=CC=CC=C1)C2=CC3=C(C=C2)OCCO3.Cl
Structure:
CAS RN: 130430-76-1
CAS Name: 6-(4-fluorophenyl)-8-phenyltetrazolo[1,5-b]pyridazine
OPENEYE Name: 6-(4-fluorophenyl)-8-phenyl-tetrazolo[1,5-b]pyridazine
IUPAC Name: 6-(4-fluorophenyl)-8-phenyltetrazolo[1,5-b]pyridazine
SYSTEMATIC NAME: 6-(4-fluorophenyl)-8-phenyl-[1,2,3,4]tetrazolo[1,5-b]pyridazine
MOLECULAR FORMULA: C16H10FN5
MOLECULAR WEIGHT: 291.282503
SMILES: C1=CC=C(C=C1)C2=CC(=NN3C2=NN=N3)C4=CC=C(C=C4)F
Structure:
CAS RN: 130421-68-0
CAS Name: 2-methoxybenzoic acid 4-(dihexylamino)but-2-ynyl ester
OPENEYE Name: 4-(dihexylamino)but-2-ynyl 2-methoxybenzoate
IUPAC Name: 4-(dihexylamino)but-2-ynyl 2-methoxybenzoate
SYSTEMATIC NAME: 4-(dihexylamino)but-2-ynyl 2-methoxybenzoate
MOLECULAR FORMULA: C24H37NO3
MOLECULAR WEIGHT: 387.55548
SMILES: CCCCCCN(CCCCCC)CC#CCOC(=O)C1=CC=CC=C1OC
Structure:
CAS RN: 130421-67-9
CAS Name: 3-iodobenzoic acid 4-(dimethylamino)but-2-ynyl ester
OPENEYE Name: 4-(dimethylamino)but-2-ynyl 3-iodobenzoate
IUPAC Name: 4-(dimethylamino)but-2-ynyl 3-iodobenzoate
SYSTEMATIC NAME: 4-(dimethylamino)but-2-ynyl 3-iodanylbenzoate
MOLECULAR FORMULA: C13H14INO2
MOLECULAR WEIGHT: 343.16023
SMILES: CN(C)CC#CCOC(=O)C1=CC(=CC=C1)I
Structure:
CAS RN: 130421-66-8
CAS Name: 4-bromobenzoic acid 4-(dioctylamino)but-2-ynyl ester
OPENEYE Name: 4-(dioctylamino)but-2-ynyl 4-bromobenzoate
IUPAC Name: 4-(dioctylamino)but-2-ynyl 4-bromobenzoate
SYSTEMATIC NAME: 4-(dioctylamino)but-2-ynyl 4-bromanylbenzoate
MOLECULAR FORMULA: C27H42BrNO2
MOLECULAR WEIGHT: 492.53188
SMILES: CCCCCCCCN(CCCCCCCC)CC#CCOC(=O)C1=CC=C(C=C1)Br
Structure:
CAS RN: 130421-65-7
CAS Name: 4-bromobenzoic acid 4-(dibutylamino)but-2-ynyl ester
OPENEYE Name: 4-(dibutylamino)but-2-ynyl 4-bromobenzoate
IUPAC Name: 4-(dibutylamino)but-2-ynyl 4-bromobenzoate
SYSTEMATIC NAME: 4-(dibutylamino)but-2-ynyl 4-bromanylbenzoate
MOLECULAR FORMULA: C19H26BrNO2
MOLECULAR WEIGHT: 380.31924
SMILES: CCCCN(CCCC)CC#CCOC(=O)C1=CC=C(C=C1)Br
Structure:
CAS RN: 130421-64-6
CAS Name: 4-bromobenzoic acid 4-(diethylamino)but-2-ynyl ester
OPENEYE Name: 4-(diethylamino)but-2-ynyl 4-bromobenzoate
IUPAC Name: 4-(diethylamino)but-2-ynyl 4-bromobenzoate
SYSTEMATIC NAME: 4-(diethylamino)but-2-ynyl 4-bromanylbenzoate
MOLECULAR FORMULA: C15H18BrNO2
MOLECULAR WEIGHT: 324.21292
SMILES: CCN(CC)CC#CCOC(=O)C1=CC=C(C=C1)Br
Structure:
CAS RN: 130421-63-5
CAS Name: 4-bromobenzoic acid 4-(dimethylamino)but-2-ynyl ester
OPENEYE Name: 4-(dimethylamino)but-2-ynyl 4-bromobenzoate
IUPAC Name: 4-(dimethylamino)but-2-ynyl 4-bromobenzoate
SYSTEMATIC NAME: 4-(dimethylamino)but-2-ynyl 4-bromanylbenzoate
MOLECULAR FORMULA: C13H14BrNO2
MOLECULAR WEIGHT: 296.15976
SMILES: CN(C)CC#CCOC(=O)C1=CC=C(C=C1)Br
Structure:
CAS RN: 130421-62-4
CAS Name: benzoic acid 4-(dioctylamino)but-2-ynyl ester
OPENEYE Name: 4-(dioctylamino)but-2-ynyl benzoate
IUPAC Name: 4-(dioctylamino)but-2-ynyl benzoate
SYSTEMATIC NAME: 4-(dioctylamino)but-2-ynyl benzoate
MOLECULAR FORMULA: C27H43NO2
MOLECULAR WEIGHT: 413.63582
SMILES: CCCCCCCCN(CCCCCCCC)CC#CCOC(=O)C1=CC=CC=C1
Structure:
CAS RN: 130421-61-3
CAS Name: benzoic acid 4-(dibutylamino)but-2-ynyl ester
OPENEYE Name: 4-(dibutylamino)but-2-ynyl benzoate
IUPAC Name: 4-(dibutylamino)but-2-ynyl benzoate
SYSTEMATIC NAME: 4-(dibutylamino)but-2-ynyl benzoate
MOLECULAR FORMULA: C19H27NO2
MOLECULAR WEIGHT: 301.42318
SMILES: CCCCN(CCCC)CC#CCOC(=O)C1=CC=CC=C1
Structure:
CAS RN: 130421-54-4
CAS Name: 3-(4-methoxyphenyl)-N-(2-thiazolyl)-1H-pyrazole-5-carboxamide
OPENEYE Name: 3-(4-methoxyphenyl)-N-thiazol-2-yl-1H-pyrazole-5-carboxamide
IUPAC Name: 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
SYSTEMATIC NAME: 3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
MOLECULAR FORMULA: C14H12N4O2S
MOLECULAR WEIGHT: 300.33568
SMILES: COC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC3=NC=CS3
Structure:
CAS RN: 130421-53-3
CAS Name: 3-(4-methylphenyl)-N-(2-thiazolyl)-1H-pyrazole-5-carboxamide
OPENEYE Name: 3-(p-tolyl)-N-thiazol-2-yl-1H-pyrazole-5-carboxamide
IUPAC Name: 3-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
SYSTEMATIC NAME: 3-(4-methylphenyl)-N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
MOLECULAR FORMULA: C14H12N4OS
MOLECULAR WEIGHT: 284.33628
SMILES: CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC3=NC=CS3
Structure:
CAS RN: 130421-49-7
CAS Name: 3-(4-methylphenyl)-N-(2-pyridinyl)-1H-pyrazole-5-carboxamide
OPENEYE Name: 3-(p-tolyl)-N-(2-pyridyl)-1H-pyrazole-5-carboxamide
IUPAC Name: 3-(4-methylphenyl)-N-pyridin-2-yl-1H-pyrazole-5-carboxamide
SYSTEMATIC NAME: 3-(4-methylphenyl)-N-pyridin-2-yl-1H-pyrazole-5-carboxamide
MOLECULAR FORMULA: C16H14N4O
MOLECULAR WEIGHT: 278.30856
SMILES: CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC3=CC=CC=N3
Structure:
CAS RN: 130421-43-1
CAS Name: 4-(4-methoxyphenyl)-2,4-dioxo-N-(2-thiazolyl)butanamide
OPENEYE Name: 4-(4-methoxyphenyl)-2,4-dioxo-N-thiazol-2-yl-butanamide
IUPAC Name: 4-(4-methoxyphenyl)-2,4-dioxo-N-(1,3-thiazol-2-yl)butanamide
SYSTEMATIC NAME: 4-(4-methoxyphenyl)-2,4-bis(oxidanylidene)-N-(1,3-thiazol-2-yl)butanamide
MOLECULAR FORMULA: C14H12N2O4S
MOLECULAR WEIGHT: 304.32108
SMILES: COC1=CC=C(C=C1)C(=O)CC(=O)C(=O)NC2=NC=CS2
Structure:
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