CAS RN: 78891-89-1
CAS Name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; 2-propylpentanoic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester; bromide
OPENEYE Name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-propylpentanoate; bromide
IUPAC Name: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-propylpentanoate; bromide
SYSTEMATIC NAME: 7-chloranyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-propylpentanoate; bromide
MOLECULAR FORMULA: C33H45BrClN3O3
MOLECULAR WEIGHT: 647.0857
SMILES: CCCC(CCC)C(=O)OC1CC2CCC(C1)[N+]2(C)C.CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.[Br-]
Structure:
CAS RN: 78873-50-4
CAS Name: (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methylbutanamide
OPENEYE Name: (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanamide
IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanamide
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-methyl-butanamide
MOLECULAR FORMULA: C28H38N6O6
MOLECULAR WEIGHT: 554.63792
SMILES: C[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
Structure:
CAS RN: 78859-44-6
CAS Name: (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methylbutanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-methyl-butanoic acid
MOLECULAR FORMULA: C28H37N5O7
MOLECULAR WEIGHT: 555.62268
SMILES: C[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
Structure:
CAS RN: 83305-95-7
CAS Name: (4S,5aR)-4-mercapto-2,5a-dimethyl-4,5,6,7,10,11-hexahydrobenzofuro[4,5-h][2]benzopyran-6-ol
OPENEYE Name: (4S,5aR)-2,5a-dimethyl-4-sulfanyl-4,5,6,7,10,11-hexahydrobenzofuro[4,5-h]isochromen-6-ol
IUPAC Name: (4S,5aR)-2,5a-dimethyl-4-sulfanyl-4,5,6,7,10,11-hexahydro-[1]benzofuro[4,5-h]isochromen-6-ol
SYSTEMATIC NAME: (4S,5aR)-2,5a-dimethyl-4-sulfanyl-4,5,6,7,10,11-hexahydro-[1]benzofuro[4,5-h]isochromen-6-ol
MOLECULAR FORMULA: C17H20O3S
MOLECULAR WEIGHT: 304.4039
SMILES: CC1=CC2=C(O1)CCC3=C2[C@H](C[C@@]4(C3=COCC4O)C)S
Structure:
CAS RN: 83291-49-0
CAS Name: 1-[(3S,8S,9S,10R,13S,14S,17S)-3-(diethylamino)-3-ethoxy-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanol; 2,5-dimethylbenzenesulfonic acid
OPENEYE Name: 1-[(3S,8S,9S,10R,13S,14S,17S)-3-(diethylamino)-3-ethoxy-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanol; 2,5-dimethylbenzenesulfonic acid
IUPAC Name: 1-[(3S,8S,9S,10R,13S,14S,17S)-3-(diethylamino)-3-ethoxy-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanol; 2,5-dimethylbenzenesulfonic acid
SYSTEMATIC NAME: 1-[(3S,8S,9S,10R,13S,14S,17S)-3-(diethylamino)-3-ethoxy-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanol; 2,5-dimethylbenzenesulfonic acid
MOLECULAR FORMULA: C35H57NO5S
MOLECULAR WEIGHT: 603.89578
SMILES: CCN(CC)[C@@]1(CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4C(C)O)C)C)OCC.CC1=CC(=C(C=C1)C)S(=O)(=O)O
Structure:
CAS RN: 187592-54-7
CAS Name: N-[2-(dimethylamino)ethyl]carbamic acid 2-(methylsulfonylthio)ethyl ester
OPENEYE Name: 2-methylsulfonylsulfanylethyl N-[2-(dimethylamino)ethyl]carbamate
IUPAC Name: 2-methylsulfonylsulfanylethyl N-[2-(dimethylamino)ethyl]carbamate
SYSTEMATIC NAME: 2-methylsulfonylsulfanylethyl N-[2-(dimethylamino)ethyl]carbamate
MOLECULAR FORMULA: C8H18N2O4S2
MOLECULAR WEIGHT: 270.36952
SMILES: CN(C)CCNC(=O)OCCSS(=O)(=O)C
Structure:
CAS RN: 184435-18-5
CAS Name: (8R,9S,10R,13S,14S)-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-4,7,17-trione
OPENEYE Name: (8R,9S,10R,13S,14S)-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-4,7,17-trione
IUPAC Name: (8R,9S,10R,13S,14S)-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-4,7,17-trione
SYSTEMATIC NAME: (8R,9S,10R,13S,14S)-10,13-dimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-4,7,17-trione
MOLECULAR FORMULA: C19H24O3
MOLECULAR WEIGHT: 300.39206
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)C=C4[C@@]3(CCCC4=O)C
Structure:
CAS RN: 182564-47-2
CAS Name: 5-fluoro-3-[1-[2-(1-methyl-4-pyrazolyl)ethyl]-4-piperidinyl]-1H-indole
OPENEYE Name: 5-fluoro-3-[1-[2-(1-methylpyrazol-4-yl)ethyl]-4-piperidyl]-1H-indole
IUPAC Name: 5-fluoro-3-[1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-4-yl]-1H-indole
SYSTEMATIC NAME: 5-fluoranyl-3-[1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-4-yl]-1H-indole
MOLECULAR FORMULA: C19H23FN4
MOLECULAR WEIGHT: 326.411123
SMILES: CN1C=C(C=N1)CCN2CCC(CC2)C3=CNC4=C3C=C(C=C4)F
Structure:
CAS RN: 181494-14-4
CAS Name: thiocyanic acid (4-oxo-5-phenylmethoxy-2-pyranyl)methyl ester
OPENEYE Name: (5-benzyloxy-4-oxo-pyran-2-yl)methyl thiocyanate
IUPAC Name: (4-oxo-5-phenylmethoxypyran-2-yl)methyl thiocyanate
SYSTEMATIC NAME: (4-oxidanylidene-5-phenylmethoxy-pyran-2-yl)methyl thiocyanate
MOLECULAR FORMULA: C14H11NO3S
MOLECULAR WEIGHT: 273.30704
SMILES: C1=CC=C(C=C1)COC2=COC(=CC2=O)CSC#N
Structure:
CAS RN: 183582-31-2
CAS Name: thiocyanic acid (4-oxo-5-phenylmethoxy-2-pyranyl)methyl ester
OPENEYE Name: (5-benzyloxy-4-oxo-pyran-2-yl)methyl thiocyanate
IUPAC Name: (4-oxo-5-phenylmethoxypyran-2-yl)methyl thiocyanate
SYSTEMATIC NAME: (4-oxidanylidene-5-phenylmethoxy-pyran-2-yl)methyl thiocyanate
MOLECULAR FORMULA: C14H11NO3S
MOLECULAR WEIGHT: 273.30704
SMILES: C1=CC=C(C=C1)COC2=COC(=CC2=O)CSC#N
Structure:
CAS RN: 180741-03-1
CAS Name: 1-[3-[(2-amino-6-methyl-4-pyrimidinyl)amino]phenyl]ethanone
OPENEYE Name: 1-[3-[(2-amino-6-methyl-pyrimidin-4-yl)amino]phenyl]ethanone
IUPAC Name: 1-[3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]ethanone
SYSTEMATIC NAME: 1-[3-[(2-azanyl-6-methyl-pyrimidin-4-yl)amino]phenyl]ethanone
MOLECULAR FORMULA: C13H14N4O
MOLECULAR WEIGHT: 242.27646
SMILES: CC1=CC(=NC(=N1)N)NC2=CC=CC(=C2)C(=O)C
Structure:
CAS RN: 180741-00-8
CAS Name: 1-[3-acetyl-5-[(2-amino-6-methyl-4-pyrimidinyl)amino]phenyl]ethanone
OPENEYE Name: 1-[3-acetyl-5-[(2-amino-6-methyl-pyrimidin-4-yl)amino]phenyl]ethanone
IUPAC Name: 1-[3-acetyl-5-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]ethanone
SYSTEMATIC NAME: 1-[3-[(2-azanyl-6-methyl-pyrimidin-4-yl)amino]-5-ethanoyl-phenyl]ethanone
MOLECULAR FORMULA: C15H16N4O2
MOLECULAR WEIGHT: 284.31314
SMILES: CC1=CC(=NC(=N1)N)NC2=CC(=CC(=C2)C(=O)C)C(=O)C
Structure:
CAS RN: 180252-46-4
CAS Name: 1-(9H-carbazol-4-yloxy)-3-[(1-iodo-3-methylbut-2-en-2-yl)amino]-2-propanol
OPENEYE Name: 1-(9H-carbazol-4-yloxy)-3-[[1-(iodomethyl)-2-methyl-prop-1-enyl]amino]propan-2-ol
IUPAC Name: 1-(9H-carbazol-4-yloxy)-3-[(1-iodo-3-methylbut-2-en-2-yl)amino]propan-2-ol
SYSTEMATIC NAME: 1-(9H-carbazol-4-yloxy)-3-[(1-iodanyl-3-methyl-but-2-en-2-yl)amino]propan-2-ol
MOLECULAR FORMULA: C20H23IN2O2
MOLECULAR WEIGHT: 450.31329
SMILES: CC(=C(CI)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O)C
Structure:
CAS RN: 179556-82-2
CAS Name: 3-ethoxy-N-methyl-N-[1-(phenylmethyl)-4-piperidinyl]-2-pyridinamine
OPENEYE Name: N-(1-benzyl-4-piperidyl)-3-ethoxy-N-methyl-pyridin-2-amine
IUPAC Name: N-(1-benzylpiperidin-4-yl)-3-ethoxy-N-methylpyridin-2-amine
SYSTEMATIC NAME: 3-ethoxy-N-methyl-N-[1-(phenylmethyl)piperidin-4-yl]pyridin-2-amine
MOLECULAR FORMULA: C20H27N3O
MOLECULAR WEIGHT: 325.44788
SMILES: CCOC1=C(N=CC=C1)N(C)C2CCN(CC2)CC3=CC=CC=C3
Structure:
CAS RN: 178894-81-0
CAS Name: benzoic acid; N-[4-[3-[2-(3,4-dichlorophenyl)ethyl-methylamino]-2-hydroxypropoxy]phenyl]methanesulfonamide
OPENEYE Name: benzoic acid; N-[4-[3-[2-(3,4-dichlorophenyl)ethyl-methyl-amino]-2-hydroxy-propoxy]phenyl]methanesulfonamide
IUPAC Name: benzoic acid; N-[4-[3-[2-(3,4-dichlorophenyl)ethyl-methylamino]-2-hydroxypropoxy]phenyl]methanesulfonamide
SYSTEMATIC NAME: benzoic acid; N-[4-[3-[2-(3,4-dichlorophenyl)ethyl-methyl-amino]-2-oxidanyl-propoxy]phenyl]methanesulfonamide
MOLECULAR FORMULA: C26H30Cl2N2O6S
MOLECULAR WEIGHT: 569.4972
SMILES: CN(CCC1=CC(=C(C=C1)Cl)Cl)CC(COC2=CC=C(C=C2)NS(=O)(=O)C)O.C1=CC=C(C=C1)C(=O)O
Structure:
CAS RN: 178820-70-7
CAS Name: (2S)-1-[(S)-benzamido-methyl-(phenylmethyl)ammonio]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-phenyl-2-butanolate
OPENEYE Name: (2S)-1-[(S)-benzamido-benzyl-methyl-ammonio]-3-(tert-butoxycarbonylamino)-4-phenyl-butan-2-olate
IUPAC Name: (2S)-1-[(S)-benzamido-benzyl-methylazaniumyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutan-2-olate
SYSTEMATIC NAME: (2S)-1-[(S)-benzamido-methyl-(phenylmethyl)azaniumyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-butan-2-olate
MOLECULAR FORMULA: C30H37N3O4
MOLECULAR WEIGHT: 503.63248
SMILES: CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)[C@H](C[N@+](C)(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)[O-]
Structure:
CAS RN: 177960-39-3
CAS Name: 3,5-diamino-4-hydroxybenzoic acid dihydrochloride
OPENEYE Name: 3,5-diamino-4-hydroxy-benzoic acid dihydrochloride
IUPAC Name: 3,5-diamino-4-hydroxybenzoic acid dihydrochloride
SYSTEMATIC NAME: 3,5-bis(azanyl)-4-oxidanyl-benzoic acid dihydrochloride
MOLECULAR FORMULA: C7H10Cl2N2O3
MOLECULAR WEIGHT: 241.0719
SMILES: C1=C(C=C(C(=C1N)O)N)C(=O)O.Cl.Cl
Structure:
CAS RN: 178273-55-7
CAS Name: (2S)-2-amino-3-(4,5-dihydroxy-2-iodophenyl)propanoic acid
OPENEYE Name: (2S)-2-amino-3-(4,5-dihydroxy-2-iodo-phenyl)propanoic acid
IUPAC Name: (2S)-2-amino-3-(4,5-dihydroxy-2-iodophenyl)propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-[2-iodanyl-4,5-bis(oxidanyl)phenyl]propanoic acid
MOLECULAR FORMULA: C9H10INO4
MOLECULAR WEIGHT: 323.08447
SMILES: C1=C(C(=CC(=C1O)O)I)C[C@@H](C(=O)O)N
Structure:
CAS RN: 178167-77-6
CAS Name: 3-(6-hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl)propanoic acid
OPENEYE Name: 3-(6-hydroxy-2,7,8-trimethyl-chroman-2-yl)propanoic acid
IUPAC Name: 3-(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl)propanoic acid
SYSTEMATIC NAME: 3-(2,7,8-trimethyl-6-oxidanyl-3,4-dihydrochromen-2-yl)propanoic acid
MOLECULAR FORMULA: C15H20O4
MOLECULAR WEIGHT: 264.3169
SMILES: CC1=C(C=C2CCC(OC2=C1C)(C)CCC(=O)O)O
Structure:
CAS RN: 177706-67-1
CAS Name: 2-cyclopropyl-6-ethyl-7-methoxyimidazo[1,2-a]pyrimidine; methanesulfonic acid
OPENEYE Name: 2-cyclopropyl-6-ethyl-7-methoxy-imidazo[1,2-a]pyrimidine; methanesulfonic acid
IUPAC Name: 2-cyclopropyl-6-ethyl-7-methoxyimidazo[1,2-a]pyrimidine; methanesulfonic acid
SYSTEMATIC NAME: 2-cyclopropyl-6-ethyl-7-methoxy-imidazo[1,2-a]pyrimidine; methanesulfonic acid
MOLECULAR FORMULA: C13H19N3O4S
MOLECULAR WEIGHT: 313.37266
SMILES: CCC1=CN2C=C(N=C2N=C1OC)C3CC3.CS(=O)(=O)O
Structure:
CAS RN: 176219-89-9
CAS Name: (8R,9S,13R)-13-methyl-7,8,9,11,12,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-2,3,14,15,16,17-hexol
OPENEYE Name: (8R,9S,13R)-13-methyl-7,8,9,11,12,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-2,3,14,15,16,17-hexol
IUPAC Name: (8R,9S,13R)-13-methyl-7,8,9,11,12,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-2,3,14,15,16,17-hexol
SYSTEMATIC NAME: (8R,9S,13R)-13-methyl-7,8,9,11,12,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-2,3,14,15,16,17-hexol
MOLECULAR FORMULA: C18H24O6
MOLECULAR WEIGHT: 336.37956
SMILES: C[C@]12CC[C@H]3[C@H](C1(C(C(C2O)O)O)O)CCC4=CC(=C(C=C34)O)O
Structure:
CAS RN: 175988-86-0
CAS Name: 6,7-dimethoxy-2-oxo-3,4-dihydro-1H-quinoline-3-carbonitrile
OPENEYE Name: 6,7-dimethoxy-2-oxo-3,4-dihydro-1H-quinoline-3-carbonitrile
IUPAC Name: 6,7-dimethoxy-2-oxo-3,4-dihydro-1H-quinoline-3-carbonitrile
SYSTEMATIC NAME: 6,7-dimethoxy-2-oxidanylidene-3,4-dihydro-1H-quinoline-3-carbonitrile
MOLECULAR FORMULA: C12H12N2O3
MOLECULAR WEIGHT: 232.23528
SMILES: COC1=C(C=C2C(=C1)CC(C(=O)N2)C#N)OC
Structure:
CAS RN: 174636-32-9
CAS Name: 3-hydroxy-2-phenyl-N-(1-phenylpropyl)-4-quinolinecarboxamide
OPENEYE Name: 3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
IUPAC Name: 3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
SYSTEMATIC NAME: 3-oxidanyl-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
MOLECULAR FORMULA: C25H22N2O2
MOLECULAR WEIGHT: 382.45438
SMILES: CCC(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)O
Structure:
CAS RN: 174590-27-3
CAS Name: N-[3-[(1S)-1-[(2R)-6-hydroxy-4-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)-2-pyridinesulfonamide
OPENEYE Name: N-[3-[(1S)-1-[(2R)-6-hydroxy-4-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
IUPAC Name: N-[3-[(1S)-1-[(2R)-6-hydroxy-4-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
SYSTEMATIC NAME: N-[3-[(1S)-1-[(2R)-6-oxidanyl-4-oxidanylidene-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
MOLECULAR FORMULA: C31H33F3N2O5S
MOLECULAR WEIGHT: 602.66433
SMILES: CCC[C@]1(CC(=O)C(=C(O1)O)[C@@H](CC)C2=CC(=CC=C2)NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)CCC4=CC=CC=C4
Structure:
CAS RN: 173440-64-7
CAS Name: 2-[3-[1-butyl-3-[(6,7-dimethoxy-2-naphthalenyl)sulfonylamino]-2-oxo-3-pyrrolidinyl]propyl]guanidine hydrochloride
OPENEYE Name: 2-[3-[1-butyl-3-[(6,7-dimethoxy-2-naphthyl)sulfonylamino]-2-oxo-pyrrolidin-3-yl]propyl]guanidine hydrochloride
IUPAC Name: 2-[3-[1-butyl-3-[(6,7-dimethoxynaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-3-yl]propyl]guanidine hydrochloride
SYSTEMATIC NAME: 2-[3-[1-butyl-3-[(6,7-dimethoxynaphthalen-2-yl)sulfonylamino]-2-oxidanylidene-pyrrolidin-3-yl]propyl]guanidine hydrochloride
MOLECULAR FORMULA: C24H36ClN5O5S
MOLECULAR WEIGHT: 542.09114
SMILES: CCCCN1CCC(C1=O)(CCCN=C(N)N)NS(=O)(=O)C2=CC3=CC(=C(C=C3C=C2)OC)OC.Cl
Structure:
CAS RN: 173323-22-3
CAS Name: 2-[2-[2-[2-[(2-bromo-1-oxoethyl)amino]ethoxy]ethoxy]ethoxy]acetic acid
OPENEYE Name: 2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]acetic acid
IUPAC Name: 2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]acetic acid
SYSTEMATIC NAME: 2-[2-[2-[2-(2-bromanylethanoylamino)ethoxy]ethoxy]ethoxy]ethanoic acid
MOLECULAR FORMULA: C10H18BrNO6
MOLECULAR WEIGHT: 328.15702
SMILES: C(COCCOCCOCC(=O)O)NC(=O)CBr
Structure:
CAS RN: 173219-33-5
CAS Name: 2-[2-[4-[3-(trifluoromethyl)-3-diazirinyl]phenyl]ethoxy]quinazoline
OPENEYE Name: 2-[2-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]ethoxy]quinazoline
IUPAC Name: 2-[2-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]ethoxy]quinazoline
SYSTEMATIC NAME: 2-[2-[4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]ethoxy]quinazoline
MOLECULAR FORMULA: C18H13F3N4O
MOLECULAR WEIGHT: 358.31723
SMILES: C1=CC=C2C(=C1)C=NC(=N2)OCCC3=CC=C(C=C3)C4(N=N4)C(F)(F)F
Structure:
CAS RN: 173219-32-4
CAS Name: 4-(11-azidoundecyl)-2-quinazolinamine
OPENEYE Name: 4-(11-azidoundecyl)quinazolin-2-amine
IUPAC Name: 4-(11-azidoundecyl)quinazolin-2-amine
SYSTEMATIC NAME: 4-(11-azidoundecyl)quinazolin-2-amine
MOLECULAR FORMULA: C19H28N6
MOLECULAR WEIGHT: 340.46582
SMILES: C1=CC=C2C(=C1)C(=NC(=N2)N)CCCCCCCCCCCN=[N+]=[N-]
Structure:
CAS RN: 172544-75-1
CAS Name: 1-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-3-(1-imidazolylmethyl)-6-indolecarboxylic acid
OPENEYE Name: 1-[3-(4-benzhydrylpiperazin-1-yl)propyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid
IUPAC Name: 1-[3-(4-benzhydrylpiperazin-1-yl)propyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid
SYSTEMATIC NAME: 1-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-3-(imidazol-1-ylmethyl)indole-6-carboxylic acid
MOLECULAR FORMULA: C33H35N5O2
MOLECULAR WEIGHT: 533.6633
SMILES: C1CN(CCN1CCCN2C=C(C3=C2C=C(C=C3)C(=O)O)CN4C=CN=C4)C(C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 151140-96-4
CAS Name: 1-[3-[3-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
OPENEYE Name: 1-[3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-yl]-N-methyl-methanesulfonamide
IUPAC Name: 1-[3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
SYSTEMATIC NAME: 1-[3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-yl]-N-methyl-methanesulfonamide
MOLECULAR FORMULA: C22H30N6O3S
MOLECULAR WEIGHT: 458.577
SMILES: CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCCN3CCN(CC3)C4=NC=NC=C4OC
Structure:
CAS RN: 170858-34-1
CAS Name: 4-[4-[2-[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]ethyl]-1-piperazinyl]benzenesulfonamide; methanesulfonic acid
OPENEYE Name: 4-[4-[2-[(1S)-isochroman-1-yl]ethyl]piperazin-1-yl]benzenesulfonamide; methanesulfonic acid
IUPAC Name: 4-[4-[2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]ethyl]piperazin-1-yl]benzenesulfonamide; methanesulfonic acid
SYSTEMATIC NAME: 4-[4-[2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]ethyl]piperazin-1-yl]benzenesulfonamide; methanesulfonic acid
MOLECULAR FORMULA: C22H31N3O6S2
MOLECULAR WEIGHT: 497.62804
SMILES: CS(=O)(=O)O.C1CO[C@H](C2=CC=CC=C21)CCN3CCN(CC3)C4=CC=C(C=C4)S(=O)(=O)N
Structure:
CAS RN: 168986-61-6
CAS Name: N-[2-[4-[3-(4-amino-5-chloro-2-methoxyphenyl)-3-oxopropyl]-1-piperidinyl]ethyl]methanesulfonamide hydrochloride
OPENEYE Name: N-[2-[4-[3-(4-amino-5-chloro-2-methoxy-phenyl)-3-oxo-propyl]-1-piperidyl]ethyl]methanesulfonamide hydrochloride
IUPAC Name: N-[2-[4-[3-(4-amino-5-chloro-2-methoxyphenyl)-3-oxopropyl]piperidin-1-yl]ethyl]methanesulfonamide hydrochloride
SYSTEMATIC NAME: N-[2-[4-[3-(4-azanyl-5-chloranyl-2-methoxy-phenyl)-3-oxidanylidene-propyl]piperidin-1-yl]ethyl]methanesulfonamide hydrochloride
MOLECULAR FORMULA: C18H29Cl2N3O4S
MOLECULAR WEIGHT: 454.41156
SMILES: COC1=CC(=C(C=C1C(=O)CCC2CCN(CC2)CCNS(=O)(=O)C)Cl)N.Cl
Structure:
CAS RN: 168104-70-9
CAS Name: 2-[4-(fluoromethyl)phenyl]-2-hydroxy-2-phenylacetic acid 1-azabicyclo[2.2.2]octan-3-yl ester
OPENEYE Name: quinuclidin-3-yl 2-[4-(fluoromethyl)phenyl]-2-hydroxy-2-phenyl-acetate
IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-[4-(fluoromethyl)phenyl]-2-hydroxy-2-phenylacetate
SYSTEMATIC NAME: 1-azabicyclo[2.2.2]octan-3-yl 2-[4-(fluoranylmethyl)phenyl]-2-oxidanyl-2-phenyl-ethanoate
MOLECULAR FORMULA: C22H24FNO3
MOLECULAR WEIGHT: 369.429263
SMILES: C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=C(C=C4)CF)O
Structure:
CAS RN: 167172-79-4
CAS Name: 2-methyl-4-[2,8,10,13-tetrahydroxy-13-[5-(1-hydroxytridecyl)-2-oxolanyl]tridecyl]-2H-furan-5-one
OPENEYE Name: 2-methyl-4-[2,8,10,13-tetrahydroxy-13-[5-(1-hydroxytridecyl)tetrahydrofuran-2-yl]tridecyl]-2H-furan-5-one
IUPAC Name: 2-methyl-4-[2,8,10,13-tetrahydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl]-2H-furan-5-one
SYSTEMATIC NAME: 2-methyl-4-[2,8,10,13-tetrakis(oxidanyl)-13-[5-(1-oxidanyltridecyl)oxolan-2-yl]tridecyl]-2H-furan-5-one
MOLECULAR FORMULA: C35H64O8
MOLECULAR WEIGHT: 612.87786
SMILES: CCCCCCCCCCCCC(C1CCC(O1)C(CCC(CC(CCCCCC(CC2=CC(OC2=O)C)O)O)O)O)O
Structure:
CAS RN: 166735-10-0
CAS Name: (2S)-2-[[(2S)-2-amino-2-cyclopropyl-1-oxoethyl]-[(2S)-3-(2-bromo-1H-indol-3-yl)-2-[[[(2R,6S)-2,6-dimethyl-1-piperidinyl]-oxomethyl]amino]-1-oxopropyl]amino]hexanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-amino-2-cyclopropyl-acetyl]-[(2S)-3-(2-bromo-1H-indol-3-yl)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoyl]amino]hexanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-amino-2-cyclopropylacetyl]-[(2S)-3-(2-bromo-1H-indol-3-yl)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoyl]amino]hexanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-azanyl-2-cyclopropyl-ethanoyl]-[(2S)-3-(2-bromanyl-1H-indol-3-yl)-2-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]carbonylamino]propanoyl]amino]hexanoic acid
MOLECULAR FORMULA: C30H42BrN5O5
MOLECULAR WEIGHT: 632.58898
SMILES: CCCC[C@@H](C(=O)O)N(C(=O)[C@H](CC1=C(NC2=CC=CC=C21)Br)NC(=O)N3[C@@H](CCC[C@@H]3C)C)C(=O)[C@H](C4CC4)N
Structure:
CAS RN: 166020-57-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H16N2O2
MOLECULAR WEIGHT: 292.33184
SMILES: CN1C(=O)C2CC1(C3=CC=CC=C3NC2=O)C4=CC=CC=C4
Structure:
CAS RN: 165260-55-9
CAS Name: 3-hydroxy-2-phenylpropanoic acid 1-azabicyclo[2.2.2]octan-3-yl ester
OPENEYE Name: quinuclidin-3-yl 3-hydroxy-2-phenyl-propanoate
IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 3-hydroxy-2-phenylpropanoate
SYSTEMATIC NAME: 1-azabicyclo[2.2.2]octan-3-yl 3-oxidanyl-2-phenyl-propanoate
MOLECULAR FORMULA: C16H21NO3
MOLECULAR WEIGHT: 275.34284
SMILES: C1CN2CCC1C(C2)OC(=O)C(CO)C3=CC=CC=C3
Structure:
CAS RN: 163714-83-8
CAS Name: N-[3-(2-nitro-1-imidazolyl)propyl]-1,2,3,4-tetrahydroacridin-9-amine hydrochloride
OPENEYE Name: N-[3-(2-nitroimidazol-1-yl)propyl]-1,2,3,4-tetrahydroacridin-9-amine hydrochloride
IUPAC Name: N-[3-(2-nitroimidazol-1-yl)propyl]-1,2,3,4-tetrahydroacridin-9-amine hydrochloride
SYSTEMATIC NAME: N-[3-(2-nitroimidazol-1-yl)propyl]-1,2,3,4-tetrahydroacridin-9-amine hydrochloride
MOLECULAR FORMULA: C19H22ClN5O2
MOLECULAR WEIGHT: 387.86328
SMILES: C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCCN4C=CN=C4[N+](=O)[O-].Cl
Structure:
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