CAS RN: 29002-49-1
CAS Name: 4-phenylmethoxybenzoic acid (7-nitro-8-quinolinyl) ester
OPENEYE Name: (7-nitro-8-quinolyl) 4-benzyloxybenzoate
IUPAC Name: (7-nitroquinolin-8-yl) 4-phenylmethoxybenzoate
SYSTEMATIC NAME: (7-nitroquinolin-8-yl) 4-phenylmethoxybenzoate
MOLECULAR FORMULA: C23H16N2O5
MOLECULAR WEIGHT: 400.38354
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)OC3=C(C=CC4=C3N=CC=C4)[N+](=O)[O-]
Structure:
CAS RN: 29002-42-4
CAS Name: 4-propoxybenzoic acid (7-nitro-8-quinolinyl) ester
OPENEYE Name: (7-nitro-8-quinolyl) 4-propoxybenzoate
IUPAC Name: (7-nitroquinolin-8-yl) 4-propoxybenzoate
SYSTEMATIC NAME: (7-nitroquinolin-8-yl) 4-propoxybenzoate
MOLECULAR FORMULA: C19H16N2O5
MOLECULAR WEIGHT: 352.34074
SMILES: CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]
Structure:
CAS RN: 29002-14-0
CAS Name: 4-(phenylthio)benzoic acid (7-nitro-8-quinolinyl) ester
OPENEYE Name: (7-nitro-8-quinolyl) 4-phenylsulfanylbenzoate
IUPAC Name: (7-nitroquinolin-8-yl) 4-phenylsulfanylbenzoate
SYSTEMATIC NAME: (7-nitroquinolin-8-yl) 4-phenylsulfanylbenzoate
MOLECULAR FORMULA: C22H14N2O4S
MOLECULAR WEIGHT: 402.42256
SMILES: C1=CC=C(C=C1)SC2=CC=C(C=C2)C(=O)OC3=C(C=CC4=C3N=CC=C4)[N+](=O)[O-]
Structure:
CAS RN: 29002-13-9
CAS Name: 3-(phenylthio)benzoic acid (7-nitro-8-quinolinyl) ester
OPENEYE Name: (7-nitro-8-quinolyl) 3-phenylsulfanylbenzoate
IUPAC Name: (7-nitroquinolin-8-yl) 3-phenylsulfanylbenzoate
SYSTEMATIC NAME: (7-nitroquinolin-8-yl) 3-phenylsulfanylbenzoate
MOLECULAR FORMULA: C22H14N2O4S
MOLECULAR WEIGHT: 402.42256
SMILES: C1=CC=C(C=C1)SC2=CC=CC(=C2)C(=O)OC3=C(C=CC4=C3N=CC=C4)[N+](=O)[O-]
Structure:
CAS RN: 29002-12-8
CAS Name: 2-(phenylthio)benzoic acid (7-nitro-8-quinolinyl) ester
OPENEYE Name: (7-nitro-8-quinolyl) 2-phenylsulfanylbenzoate
IUPAC Name: (7-nitroquinolin-8-yl) 2-phenylsulfanylbenzoate
SYSTEMATIC NAME: (7-nitroquinolin-8-yl) 2-phenylsulfanylbenzoate
MOLECULAR FORMULA: C22H14N2O4S
MOLECULAR WEIGHT: 402.42256
SMILES: C1=CC=C(C=C1)SC2=CC=CC=C2C(=O)OC3=C(C=CC4=C3N=CC=C4)[N+](=O)[O-]
Structure:
CAS RN: 29002-11-7
CAS Name: 2-hydroxybenzoic acid (7-nitro-8-quinolinyl) ester
OPENEYE Name: (7-nitro-8-quinolyl) 2-hydroxybenzoate
IUPAC Name: (7-nitroquinolin-8-yl) 2-hydroxybenzoate
SYSTEMATIC NAME: (7-nitroquinolin-8-yl) 2-oxidanylbenzoate
MOLECULAR FORMULA: C16H10N2O5
MOLECULAR WEIGHT: 310.261
SMILES: C1=CC=C(C(=C1)C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-])O
Structure:
CAS RN: 28998-67-6
CAS Name: 5-butyl-1H-pyrazole
OPENEYE Name: 5-butyl-1H-pyrazole
IUPAC Name: 5-butyl-1H-pyrazole
SYSTEMATIC NAME: 5-butyl-1H-pyrazole
MOLECULAR FORMULA: C7H12N2
MOLECULAR WEIGHT: 124.18358
SMILES: CCCCC1=CC=NN1
Structure:
CAS RN: 28986-03-0
CAS Name: acetic acid [(2R,3R,4S,6R)-3-acetyloxy-6-[[(2R,3R,4S,6S)-3-[[(2R,4S,5S,6R)-5-acetyloxy-4-hydroxy-6-methyl-2-oxanyl]oxy]-6-[[(3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclope
OPENEYE Name: [(2R,3R,4S,6R)-3-acetoxy-6-[(2R,3R,4S,6S)-3-[(2R,4S,5S,6R)-5-acetoxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-[[(3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]p
IUPAC Name: [(2R,3R,4S,6R)-3-acetyloxy-6-[(2R,3R,4S,6S)-3-[(2R,4S,5S,6R)-5-acetyloxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-[[(3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthr
SYSTEMATIC NAME: [(2R,3R,4S,6R)-3-acetyloxy-6-[(2R,3R,4S,6S)-3-[(2R,4S,5S,6R)-5-acetyloxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-6-[[(3S,5R,8R,9S,10S,13R,17R)-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopent
MOLECULAR FORMULA: C47H70O16
MOLECULAR WEIGHT: 891.0491
SMILES: C[C@@H]1[C@H]([C@H](C[C@H](O1)O[C@@H]2[C@H](O[C@@H](C[C@@H]2O[C@@H]3C[C@@H]([C@@H]([C@H](O3)C)OC(=O)C)OC(=O)C)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7(C6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)O)OC(=O)C
Structure:
CAS RN: 28980-11-2
CAS Name: 7,9-dichloro-6-methyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol
OPENEYE Name: 7,9-dichloro-6-methyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol
IUPAC Name: 7,9-dichloro-6-methyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol
SYSTEMATIC NAME: 7,9-bis(chloranyl)-6-methyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol
MOLECULAR FORMULA: C11H11Cl2NO2
MOLECULAR WEIGHT: 260.11654
SMILES: CC1=NCC(COC2=CC(=CC(=C12)Cl)Cl)O
Structure:
CAS RN: 28958-95-4
CAS Name: 2-amino-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid methyl ester hydrochloride
OPENEYE Name: methyl 2-amino-1,4,5,6-tetrahydropyrimidine-6-carboxylate hydrochloride
IUPAC Name: methyl 2-amino-1,4,5,6-tetrahydropyrimidine-6-carboxylate hydrochloride
SYSTEMATIC NAME: methyl 2-azanyl-1,4,5,6-tetrahydropyrimidine-6-carboxylate hydrochloride
MOLECULAR FORMULA: C6H12ClN3O2
MOLECULAR WEIGHT: 193.63138
SMILES: COC(=O)C1CCN=C(N1)N.Cl
Structure:
CAS RN: 28958-94-3
CAS Name: 2-amino-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
OPENEYE Name: 2-amino-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
IUPAC Name: 2-amino-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
SYSTEMATIC NAME: 2-azanyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
MOLECULAR FORMULA: C5H9N3O2
MOLECULAR WEIGHT: 143.14386
SMILES: C1CN=C(NC1C(=O)O)N
Structure:
CAS RN: 28958-90-9
CAS Name: (7S)-2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid
OPENEYE Name: (7S)-2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid
IUPAC Name: (7S)-2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid
SYSTEMATIC NAME: (7S)-2-azanyl-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid
MOLECULAR FORMULA: C6H11N3O2
MOLECULAR WEIGHT: 157.17044
SMILES: C1C[C@H](NC(=NC1)N)C(=O)O
Structure:
CAS RN: 28958-88-5
CAS Name: 2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate
IUPAC Name: ethyl 2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate
SYSTEMATIC NAME: ethyl 2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate
MOLECULAR FORMULA: C8H14N4O4
MOLECULAR WEIGHT: 230.22116
SMILES: CCOC(=O)C1CCCN=C(N1)N[N+](=O)[O-]
Structure:
CAS RN: 28958-87-4
CAS Name: 2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid methyl ester
OPENEYE Name: methyl 2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate
IUPAC Name: methyl 2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate
SYSTEMATIC NAME: methyl 2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate
MOLECULAR FORMULA: C7H12N4O4
MOLECULAR WEIGHT: 216.19458
SMILES: COC(=O)C1CCCN=C(N1)N[N+](=O)[O-]
Structure:
CAS RN: 28958-86-3
CAS Name: 2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid
OPENEYE Name: 2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid
IUPAC Name: 2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid
SYSTEMATIC NAME: 2-nitramido-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid
MOLECULAR FORMULA: C6H10N4O4
MOLECULAR WEIGHT: 202.168
SMILES: C1CC(NC(=NC1)N[N+](=O)[O-])C(=O)O
Structure:
CAS RN: 28941-77-7
CAS Name: N,N-dimethyl-1-(11-methyl-5-benzo[b][1]benzazepinyl)methanamine hydrochloride
OPENEYE Name: N,N-dimethyl-1-(11-methylbenzo[b][1]benzazepin-5-yl)methanamine hydrochloride
IUPAC Name: N,N-dimethyl-1-(11-methylbenzo[b][1]benzazepin-5-yl)methanamine hydrochloride
SYSTEMATIC NAME: N,N-dimethyl-1-(11-methylbenzo[b][1]benzazepin-5-yl)methanamine hydrochloride
MOLECULAR FORMULA: C18H21ClN2
MOLECULAR WEIGHT: 300.82574
SMILES: CN1C2=CC=CC=C2C=C(C3=CC=CC=C31)CN(C)C.Cl
Structure:
CAS RN: 28939-74-4
CAS Name: 4-hydroxy-N-[(2-methyl-3-bicyclo[2.2.1]heptanyl)methyl]-N-(3-methylbutyl)pentanamide
OPENEYE Name: 4-hydroxy-N-isopentyl-N-[(3-methylnorbornan-2-yl)methyl]pentanamide
IUPAC Name: 4-hydroxy-N-[(2-methyl-3-bicyclo[2.2.1]heptanyl)methyl]-N-(3-methylbutyl)pentanamide
SYSTEMATIC NAME: N-[(2-methyl-3-bicyclo[2.2.1]heptanyl)methyl]-N-(3-methylbutyl)-4-oxidanyl-pentanamide
MOLECULAR FORMULA: C19H35NO2
MOLECULAR WEIGHT: 309.4867
SMILES: CC1C2CCC(C2)C1CN(CCC(C)C)C(=O)CCC(C)O
Structure:
CAS RN: 28939-71-1
CAS Name: N-butyl-N-[(2-methyl-3-bicyclo[2.2.1]heptanyl)methyl]-4-oxopentanamide
OPENEYE Name: N-butyl-N-[(3-methylnorbornan-2-yl)methyl]-4-oxo-pentanamide
IUPAC Name: N-butyl-N-[(2-methyl-3-bicyclo[2.2.1]heptanyl)methyl]-4-oxopentanamide
SYSTEMATIC NAME: N-butyl-N-[(2-methyl-3-bicyclo[2.2.1]heptanyl)methyl]-4-oxidanylidene-pentanamide
MOLECULAR FORMULA: C18H31NO2
MOLECULAR WEIGHT: 293.44424
SMILES: CCCCN(CC1C(C2CCC1C2)C)C(=O)CCC(=O)C
Structure:
CAS RN: 28939-70-0
CAS Name: N-[(2-methyl-3-bicyclo[2.2.1]heptanyl)methyl]-4-oxo-N-propylpentanamide
OPENEYE Name: N-[(3-methylnorbornan-2-yl)methyl]-4-oxo-N-propyl-pentanamide
IUPAC Name: N-[(2-methyl-3-bicyclo[2.2.1]heptanyl)methyl]-4-oxo-N-propylpentanamide
SYSTEMATIC NAME: N-[(2-methyl-3-bicyclo[2.2.1]heptanyl)methyl]-4-oxidanylidene-N-propyl-pentanamide
MOLECULAR FORMULA: C17H29NO2
MOLECULAR WEIGHT: 279.41766
SMILES: CCCN(CC1C(C2CCC1C2)C)C(=O)CCC(=O)C
Structure:
CAS RN: 28939-69-7
CAS Name: N-ethyl-N-[(2-methyl-3-bicyclo[2.2.1]heptanyl)methyl]-4-oxopentanamide
OPENEYE Name: N-ethyl-N-[(3-methylnorbornan-2-yl)methyl]-4-oxo-pentanamide
IUPAC Name: N-ethyl-N-[(2-methyl-3-bicyclo[2.2.1]heptanyl)methyl]-4-oxopentanamide
SYSTEMATIC NAME: N-ethyl-N-[(2-methyl-3-bicyclo[2.2.1]heptanyl)methyl]-4-oxidanylidene-pentanamide
MOLECULAR FORMULA: C16H27NO2
MOLECULAR WEIGHT: 265.39108
SMILES: CCN(CC1C(C2CCC1C2)C)C(=O)CCC(=O)C
Structure:
CAS RN: 28939-61-9
CAS Name: N-methyl-N-[(2-methyl-3-bicyclo[2.2.1]heptanyl)methyl]pentanamide
OPENEYE Name: N-methyl-N-[(3-methylnorbornan-2-yl)methyl]pentanamide
IUPAC Name: N-methyl-N-[(2-methyl-3-bicyclo[2.2.1]heptanyl)methyl]pentanamide
SYSTEMATIC NAME: N-methyl-N-[(2-methyl-3-bicyclo[2.2.1]heptanyl)methyl]pentanamide
MOLECULAR FORMULA: C15H27NO
MOLECULAR WEIGHT: 237.38098
SMILES: CCCCC(=O)N(C)CC1C(C2CCC1C2)C
Structure:
CAS RN: 28922-01-2
CAS Name: 2-nitramido-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
OPENEYE Name: 2-nitramido-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
IUPAC Name: 2-nitramido-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
SYSTEMATIC NAME: 2-nitramido-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
MOLECULAR FORMULA: C5H8N4O4
MOLECULAR WEIGHT: 188.14142
SMILES: C1CN=C(NC1C(=O)O)N[N+](=O)[O-]
Structure:
CAS RN: 28920-93-6
CAS Name: 2-[[[3,5-bis[ethyl(1-oxopropyl)amino]-2,4,6-triiodophenyl]-oxomethyl]-methylamino]acetic acid
OPENEYE Name: 2-[[3,5-bis[ethyl(propanoyl)amino]-2,4,6-triiodo-benzoyl]-methyl-amino]acetic acid
IUPAC Name: 2-[[3,5-bis[ethyl(propanoyl)amino]-2,4,6-triiodobenzoyl]-methylamino]acetic acid
SYSTEMATIC NAME: 2-[[3,5-bis[ethyl(propanoyl)amino]-2,4,6-tris(iodanyl)phenyl]carbonyl-methyl-amino]ethanoic acid
MOLECULAR FORMULA: C20H26I3N3O5
MOLECULAR WEIGHT: 769.15095
SMILES: CCC(=O)N(CC)C1=C(C(=C(C(=C1I)C(=O)N(C)CC(=O)O)I)N(CC)C(=O)CC)I
Structure:
CAS RN: 28920-89-0
CAS Name: 2-[[[[3,5-bis[acetyl(ethyl)amino]-2,4,6-triiodophenyl]-oxomethyl]amino]methyl]butanoic acid
OPENEYE Name: 2-[[[3,5-bis[acetyl(ethyl)amino]-2,4,6-triiodo-benzoyl]amino]methyl]butanoic acid
IUPAC Name: 2-[[[3,5-bis[acetyl(ethyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]butanoic acid
SYSTEMATIC NAME: 2-[[[3,5-bis[ethanoyl(ethyl)amino]-2,4,6-tris(iodanyl)phenyl]carbonylamino]methyl]butanoic acid
MOLECULAR FORMULA: C20H26I3N3O5
MOLECULAR WEIGHT: 769.15095
SMILES: CCC(CNC(=O)C1=C(C(=C(C(=C1I)N(CC)C(=O)C)I)N(CC)C(=O)C)I)C(=O)O
Structure:
CAS RN: 28920-86-7
CAS Name: 2-[[[3,5-bis[acetyl(ethyl)amino]-2,4,6-triiodophenyl]-oxomethyl]amino]acetic acid
OPENEYE Name: 2-[[3,5-bis[acetyl(ethyl)amino]-2,4,6-triiodo-benzoyl]amino]acetic acid
IUPAC Name: 2-[[3,5-bis[acetyl(ethyl)amino]-2,4,6-triiodobenzoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[3,5-bis[ethanoyl(ethyl)amino]-2,4,6-tris(iodanyl)phenyl]carbonylamino]ethanoic acid
MOLECULAR FORMULA: C17H20I3N3O5
MOLECULAR WEIGHT: 727.07121
SMILES: CCN(C1=C(C(=C(C(=C1I)C(=O)NCC(=O)O)I)N(CC)C(=O)C)I)C(=O)C
Structure:
CAS RN: 28920-83-4
CAS Name: 2-[[[3,5-bis[acetyl(ethyl)amino]-2,4,6-triiodophenyl]-oxomethyl]-ethylamino]acetic acid
OPENEYE Name: 2-[[3,5-bis[acetyl(ethyl)amino]-2,4,6-triiodo-benzoyl]-ethyl-amino]acetic acid
IUPAC Name: 2-[[3,5-bis[acetyl(ethyl)amino]-2,4,6-triiodobenzoyl]-ethylamino]acetic acid
SYSTEMATIC NAME: 2-[[3,5-bis[ethanoyl(ethyl)amino]-2,4,6-tris(iodanyl)phenyl]carbonyl-ethyl-amino]ethanoic acid
MOLECULAR FORMULA: C19H24I3N3O5
MOLECULAR WEIGHT: 755.12437
SMILES: CCN(CC(=O)O)C(=O)C1=C(C(=C(C(=C1I)N(CC)C(=O)C)I)N(CC)C(=O)C)I
Structure:
CAS RN: 28920-67-4
CAS Name: 2-(4-methyl-1-piperazinyl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(4-methylpiperazin-1-yl)acetate
IUPAC Name: ethyl 2-(4-methylpiperazin-1-yl)acetate
SYSTEMATIC NAME: ethyl 2-(4-methylpiperazin-1-yl)ethanoate
MOLECULAR FORMULA: C9H18N2O2
MOLECULAR WEIGHT: 186.25142
SMILES: CCOC(=O)CN1CCN(CC1)C
Structure:
CAS RN: 28920-63-0
CAS Name: 2-(4-methyl-1-piperazinyl)propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-(4-methylpiperazin-1-yl)propanedioate
IUPAC Name: diethyl 2-(4-methylpiperazin-1-yl)propanedioate
SYSTEMATIC NAME: diethyl 2-(4-methylpiperazin-1-yl)propanedioate
MOLECULAR FORMULA: C12H22N2O4
MOLECULAR WEIGHT: 258.31408
SMILES: CCOC(=O)C(C(=O)OCC)N1CCN(CC1)C
Structure:
CAS RN: 28920-46-9
CAS Name: 2-[[[3,5-bis[ethyl(1-oxopropyl)amino]-2,4,6-triiodophenyl]-oxomethyl]-ethylamino]acetic acid
OPENEYE Name: 2-[[3,5-bis[ethyl(propanoyl)amino]-2,4,6-triiodo-benzoyl]-ethyl-amino]acetic acid
IUPAC Name: 2-[[3,5-bis[ethyl(propanoyl)amino]-2,4,6-triiodobenzoyl]-ethylamino]acetic acid
SYSTEMATIC NAME: 2-[[3,5-bis[ethyl(propanoyl)amino]-2,4,6-tris(iodanyl)phenyl]carbonyl-ethyl-amino]ethanoic acid
MOLECULAR FORMULA: C21H28I3N3O5
MOLECULAR WEIGHT: 783.17753
SMILES: CCC(=O)N(CC)C1=C(C(=C(C(=C1I)C(=O)N(CC)CC(=O)O)I)N(CC)C(=O)CC)I
Structure:
CAS RN: 28910-17-0
CAS Name: 4-amino-6-[4,6-diamino-3-[[6-(aminomethyl)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-hydroxycyclohexyl]oxy-3,5-dihydroxy-2-oxanecarboxylic acid trihydrochloride
OPENEYE Name: 4-amino-6-[4,6-diamino-3-[6-(aminomethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-3,5-dihydroxy-tetrahydropyran-2-carboxylic acid trihydrochloride
IUPAC Name: 4-amino-6-[4,6-diamino-3-[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxyoxane-2-carboxylic acid trihydrochloride
SYSTEMATIC NAME: 6-[3-[6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-4-azanyl-3,5-bis(oxidanyl)oxane-2-carboxylic acid trihydrochloride
MOLECULAR FORMULA: C18H37Cl3N4O12
MOLECULAR WEIGHT: 607.86498
SMILES: C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)O)O)OC3C(C(C(C(O3)C(=O)O)O)N)O)N.Cl.Cl.Cl
Structure:
CAS RN: 28899-92-5
CAS Name: 9-methyl-1-(2-pyridinyl)-1,2,3,4-tetrahydropyrido[3,4-b]indole hydrochloride
OPENEYE Name: 9-methyl-1-(2-pyridyl)-1,2,3,4-tetrahydropyrido[3,4-b]indole hydrochloride
IUPAC Name: 9-methyl-1-pyridin-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]indole hydrochloride
SYSTEMATIC NAME: 9-methyl-1-pyridin-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]indole hydrochloride
MOLECULAR FORMULA: C17H18ClN3
MOLECULAR WEIGHT: 299.79792
SMILES: CN1C2=CC=CC=C2C3=C1C(NCC3)C4=CC=CC=N4.Cl
Structure:
CAS RN: 28889-34-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H13ClN2O
MOLECULAR WEIGHT: 296.75092
SMILES: C1CN2C(=CC(=O)NC3=C2C1=CC(=C3)Cl)C4=CC=CC=C4
Structure:
CAS RN: 28889-33-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H10N2O
MOLECULAR WEIGHT: 186.2099
SMILES: C1CN2C=CC3=C2C(=CC=C3)C(=O)N1
Structure:
CAS RN: 28869-98-9
CAS Name: 1-[phenyl(1-piperidinyl)phosphoryl]piperidine
OPENEYE Name: 1-[phenyl(1-piperidyl)phosphoryl]piperidine
IUPAC Name: 1-[phenyl(piperidin-1-yl)phosphoryl]piperidine
SYSTEMATIC NAME: 1-[phenyl(piperidin-1-yl)phosphoryl]piperidine
MOLECULAR FORMULA: C16H25N2OP
MOLECULAR WEIGHT: 292.356261
SMILES: C1CCN(CC1)P(=O)(C2=CC=CC=C2)N3CCCCC3
Structure:
CAS RN: 28869-92-3
CAS Name: (4-methylphenyl)-bis(1-piperidinyl)phosphine
OPENEYE Name: bis(1-piperidyl)-(p-tolyl)phosphane
IUPAC Name: (4-methylphenyl)-di(piperidin-1-yl)phosphane
SYSTEMATIC NAME: (4-methylphenyl)-di(piperidin-1-yl)phosphane
MOLECULAR FORMULA: C17H27N2P
MOLECULAR WEIGHT: 290.383441
SMILES: CC1=CC=C(C=C1)P(N2CCCCC2)N3CCCCC3
Structure:
CAS RN: 28869-39-8
CAS Name: N-butyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine hydrochloride
OPENEYE Name: N-butyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine hydrochloride
IUPAC Name: N-butyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine hydrochloride
SYSTEMATIC NAME: N-butyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine hydrochloride
MOLECULAR FORMULA: C18H25ClN2
MOLECULAR WEIGHT: 304.8575
SMILES: CCCCNC1=C2CCCCCC2=NC3=CC=CC=C31.Cl
Structure:
CAS RN: 28867-24-5
CAS Name: propanoic acid [1,2,5-trimethyl-5-(4-morpholinylmethyl)-4-phenyl-4-piperidinyl] ester dihydrochloride
OPENEYE Name: [1,2,5-trimethyl-5-(morpholinomethyl)-4-phenyl-4-piperidyl] propanoate dihydrochloride
IUPAC Name: [1,2,5-trimethyl-5-(morpholin-4-ylmethyl)-4-phenylpiperidin-4-yl] propanoate dihydrochloride
SYSTEMATIC NAME: [1,2,5-trimethyl-5-(morpholin-4-ylmethyl)-4-phenyl-piperidin-4-yl] propanoate dihydrochloride
MOLECULAR FORMULA: C22H36Cl2N2O3
MOLECULAR WEIGHT: 447.43884
SMILES: CCC(=O)OC1(CC(N(CC1(C)CN2CCOCC2)C)C)C3=CC=CC=C3.Cl.Cl
Structure:
CAS RN: 28867-22-3
CAS Name: propanoic acid [5-(1-azepanylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidinyl] ester dihydrochloride
OPENEYE Name: [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidyl] propanoate dihydrochloride
IUPAC Name: [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] propanoate dihydrochloride
SYSTEMATIC NAME: [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-yl] propanoate dihydrochloride
MOLECULAR FORMULA: C24H40Cl2N2O2
MOLECULAR WEIGHT: 459.4926
SMILES: CCC(=O)OC1(CC(N(CC1(C)CN2CCCCCC2)C)C)C3=CC=CC=C3.Cl.Cl
Structure:
CAS RN: 28867-20-1
CAS Name: propanoic acid [1,2,5-trimethyl-4-phenyl-5-(1-piperidinylmethyl)-4-piperidinyl] ester dihydrochloride
OPENEYE Name: [1,2,5-trimethyl-4-phenyl-5-(1-piperidylmethyl)-4-piperidyl] propanoate dihydrochloride
IUPAC Name: [1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-yl] propanoate dihydrochloride
SYSTEMATIC NAME: [1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-yl] propanoate dihydrochloride
MOLECULAR FORMULA: C23H38Cl2N2O2
MOLECULAR WEIGHT: 445.46602
SMILES: CCC(=O)OC1(CC(N(CC1(C)CN2CCCCC2)C)C)C3=CC=CC=C3.Cl.Cl
Structure:
CAS RN: 28867-18-7
CAS Name: propanoic acid [5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenyl-4-piperidinyl] ester dihydrochloride
OPENEYE Name: [5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenyl-4-piperidyl] propanoate dihydrochloride
IUPAC Name: [5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl] propanoate dihydrochloride
SYSTEMATIC NAME: [5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenyl-piperidin-4-yl] propanoate dihydrochloride
MOLECULAR FORMULA: C26H46Cl2N2O2
MOLECULAR WEIGHT: 489.56164
SMILES: CCCCN(CCCC)CC1(CN(C(CC1(C2=CC=CC=C2)OC(=O)CC)C)C)C.Cl.Cl
Structure:
CAS RN: 28866-62-8
CAS Name: acetic acid [5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenyl-4-piperidinyl] ester dihydrochloride
OPENEYE Name: [5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenyl-4-piperidyl] acetate dihydrochloride
IUPAC Name: [5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] acetate dihydrochloride
SYSTEMATIC NAME: [5-(diethylaminomethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-yl] ethanoate dihydrochloride
MOLECULAR FORMULA: C21H36Cl2N2O2
MOLECULAR WEIGHT: 419.42874
SMILES: CCN(CC)CC1(CN(C(CC1(C2=CC=CC=C2)OC(=O)C)C)C)C.Cl.Cl
Structure:
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