CAS RN: 133806-59-4
CAS Name: acetic acid [1-(6-hydroxy-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-2-yl)-3-methylbutyl] ester
OPENEYE Name: [1-(6-hydroxy-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-2-yl)-3-methyl-butyl] acetate
IUPAC Name: [1-(6-hydroxy-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-2-yl)-3-methylbutyl] acetate
SYSTEMATIC NAME: [1-(1-methoxy-8-methyl-6-oxidanyl-12-oxidanylidene-10H-benzo[b][1,5]benzodioxocin-2-yl)-3-methyl-butyl] ethanoate
MOLECULAR FORMULA: C23H26O7
MOLECULAR WEIGHT: 414.44834
SMILES: CC1=CC(=C2C(=C1)COC(=O)C3=C(O2)C=CC(=C3OC)C(CC(C)C)OC(=O)C)O
Structure:
CAS RN: 133790-08-6
CAS Name: (2S)-2-[[2-[[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-oxoethyl]amino]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)propanamide
OPENEYE Name: (2S)-2-[[2-[[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanamide
IUPAC Name: (2S)-2-[[2-[[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanamide
SYSTEMATIC NAME: (2S)-2-[2-[2-[[3-(2-azanylethyl)-1H-indol-5-yl]oxy]ethanoylamino]ethanoylamino]-3-(4-hydroxyphenyl)propanamide
MOLECULAR FORMULA: C23H27N5O5
MOLECULAR WEIGHT: 453.49098
SMILES: C1=CC(=CC=C1C[C@@H](C(=O)N)NC(=O)CNC(=O)COC2=CC3=C(C=C2)NC=C3CCN)O
Structure:
CAS RN: 133768-71-5
CAS Name: 3-[[3-[4-chloro-2-[dimethylamino(oxo)methyl]phenyl]-1-[3-[(7-chloro-2-quinolinyl)methoxy]phenyl]propyl]thio]propanoic acid
OPENEYE Name: 3-[3-[4-chloro-2-(dimethylcarbamoyl)phenyl]-1-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]propyl]sulfanylpropanoic acid
IUPAC Name: 3-[3-[4-chloro-2-(dimethylcarbamoyl)phenyl]-1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]propyl]sulfanylpropanoic acid
SYSTEMATIC NAME: 3-[3-[4-chloranyl-2-(dimethylcarbamoyl)phenyl]-1-[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]propyl]sulfanylpropanoic acid
MOLECULAR FORMULA: C31H30Cl2N2O4S
MOLECULAR WEIGHT: 597.5519
SMILES: CN(C)C(=O)C1=C(C=CC(=C1)Cl)CCC(C2=CC(=CC=C2)OCC3=NC4=C(C=CC(=C4)Cl)C=C3)SCCC(=O)O
Structure:
CAS RN: 133763-19-6
CAS Name: (1-methyl-6-phenyl-2-imidazo[4,5-b]pyridinyl)-oxido-phenyliminoammonium
OPENEYE Name: (1-methyl-6-phenyl-imidazo[4,5-b]pyridin-2-yl)-oxido-phenylimino-ammonium
IUPAC Name: (1-methyl-6-phenylimidazo[4,5-b]pyridin-2-yl)-oxido-phenyliminoazanium
SYSTEMATIC NAME: (1-methyl-6-phenyl-imidazo[4,5-b]pyridin-2-yl)-oxidanidyl-phenylimino-azanium
MOLECULAR FORMULA: C19H15N5O
MOLECULAR WEIGHT: 329.3553
SMILES: CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1[N+](=NC4=CC=CC=C4)[O-]
Structure:
CAS RN: 133763-16-3
CAS Name: 1-[2-[(4-chlorophenyl)methyl]-1-cyclohexenyl]-N,N-dimethylmethanamine
OPENEYE Name: 1-[2-[(4-chlorophenyl)methyl]cyclohexen-1-yl]-N,N-dimethyl-methanamine
IUPAC Name: 1-[2-[(4-chlorophenyl)methyl]cyclohexen-1-yl]-N,N-dimethylmethanamine
SYSTEMATIC NAME: 1-[2-[(4-chlorophenyl)methyl]cyclohexen-1-yl]-N,N-dimethyl-methanamine
MOLECULAR FORMULA: C16H22ClN
MOLECULAR WEIGHT: 263.80558
SMILES: CN(C)CC1=C(CCCC1)CC2=CC=C(C=C2)Cl
Structure:
CAS RN: 133735-47-4
CAS Name: 2-[(3,6-dihydroxy-2,4-dimethoxyphenyl)thio]acetic acid
OPENEYE Name: 2-(3,6-dihydroxy-2,4-dimethoxy-phenyl)sulfanylacetic acid
IUPAC Name: 2-(3,6-dihydroxy-2,4-dimethoxyphenyl)sulfanylacetic acid
SYSTEMATIC NAME: 2-[2,4-dimethoxy-3,6-bis(oxidanyl)phenyl]sulfanylethanoic acid
MOLECULAR FORMULA: C10H12O6S
MOLECULAR WEIGHT: 260.26368
SMILES: COC1=CC(=C(C(=C1O)OC)SCC(=O)O)O
Structure:
CAS RN: 133737-32-3
CAS Name: 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-3H-isoindol-1-one
OPENEYE Name: 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxo-hexyl)isoindolin-1-one
IUPAC Name: 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-3H-isoindol-1-one
SYSTEMATIC NAME: 2-(7-chloranyl-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxidanylidene-hexyl)-3H-isoindol-1-one
MOLECULAR FORMULA: C23H22ClN3O2
MOLECULAR WEIGHT: 407.89268
SMILES: CC(C)CCC(=O)CC1C2=CC=CC=C2C(=O)N1C3=NC4=C(C=C3)C=CC(=N4)Cl
Structure:
CAS RN: 133737-48-1
CAS Name: 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-3H-isoindol-1-one
OPENEYE Name: 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxo-hexyl)isoindolin-1-one
IUPAC Name: 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-3H-isoindol-1-one
SYSTEMATIC NAME: 2-(7-chloranyl-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxidanylidene-hexyl)-3H-isoindol-1-one
MOLECULAR FORMULA: C23H22ClN3O2
MOLECULAR WEIGHT: 407.89268
SMILES: CC(C)CCC(=O)CC1C2=CC=CC=C2C(=O)N1C3=NC4=C(C=C3)C=CC(=N4)Cl
Structure:
CAS RN: 133712-11-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H22N4O
MOLECULAR WEIGHT: 334.41488
SMILES: CC1=CN=C(C2=C1NC3=C2C4=C(C=C3)C=C(C=C4)OC)NCCCN
Structure:
CAS RN: 133694-79-8
CAS Name: (2S)-3-[[2-carboxy-2-(2,4-dinitroanilino)ethyl]disulfanyl]-2-(2,4-dinitroanilino)propanoic acid
OPENEYE Name: (2S)-3-[[2-carboxy-2-(2,4-dinitroanilino)ethyl]disulfanyl]-2-(2,4-dinitroanilino)propanoic acid
IUPAC Name: (2S)-3-[[2-carboxy-2-(2,4-dinitroanilino)ethyl]disulfanyl]-2-(2,4-dinitroanilino)propanoic acid
SYSTEMATIC NAME: (2S)-2-[(2,4-dinitrophenyl)amino]-3-[[2-[(2,4-dinitrophenyl)amino]-3-oxidanyl-3-oxidanylidene-propyl]disulfanyl]propanoic acid
MOLECULAR FORMULA: C18H16N6O12S2
MOLECULAR WEIGHT: 574.475182
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N[C@@H](CSSCC(C(=O)O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[14C](=O)O
Structure:
CAS RN: 133693-62-6
CAS Name: 2-(4-butan-2-ylphenoxy)-N,N-dimethylethanamine
OPENEYE Name: N,N-dimethyl-2-(4-sec-butylphenoxy)ethanamine
IUPAC Name: 2-(4-butan-2-ylphenoxy)-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-(4-butan-2-ylphenoxy)-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C14H23NO
MOLECULAR WEIGHT: 221.33852
SMILES: CCC(C)C1=CC=C(C=C1)OCCN(C)C
Structure:
CAS RN: 133690-62-7
CAS Name: 2,5-dibutyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
OPENEYE Name: 2,5-dibutyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
IUPAC Name: 2,5-dibutyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
SYSTEMATIC NAME: 2,5-dibutyl-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
MOLECULAR FORMULA: C24H29N7O
MOLECULAR WEIGHT: 431.53336
SMILES: CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CCCC
Structure:
CAS RN: 133681-83-1
CAS Name: 1-methyl-2-[(prop-2-ynylamino)methyl]-5-indolol
OPENEYE Name: 1-methyl-2-[(prop-2-ynylamino)methyl]indol-5-ol
IUPAC Name: 1-methyl-2-[(prop-2-ynylamino)methyl]indol-5-ol
SYSTEMATIC NAME: 1-methyl-2-[(prop-2-ynylamino)methyl]indol-5-ol
MOLECULAR FORMULA: C13H14N2O
MOLECULAR WEIGHT: 214.26306
SMILES: CN1C2=C(C=C(C=C2)O)C=C1CNCC#C
Structure:
CAS RN: 133665-58-4
CAS Name: 2-[[(2S)-2-[[(2S)-4-amino-2-[[(4-methoxyphenyl)methoxy-oxomethyl]amino]-1,4-dioxobutyl]amino]-4-methyl-1-oxopentyl]amino]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[[(2S)-2-[[(2S)-4-amino-2-[(4-methoxyphenyl)methoxycarbonylamino]-4-oxo-butanoyl]amino]-4-methyl-pentanoyl]amino]acetate
IUPAC Name: ethyl 2-[[(2S)-2-[[(2S)-4-amino-2-[(4-methoxyphenyl)methoxycarbonylamino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]acetate
SYSTEMATIC NAME: ethyl 2-[[(2S)-2-[[(2S)-4-azanyl-2-[(4-methoxyphenyl)methoxycarbonylamino]-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]ethanoate
MOLECULAR FORMULA: C23H34N4O8
MOLECULAR WEIGHT: 494.53806
SMILES: CCOC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)OCC1=CC=C(C=C1)OC
Structure:
CAS RN: 133658-30-7
CAS Name: N-(2-methylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide
OPENEYE Name: N-(o-tolyl)quinuclidine-3-carboxamide
IUPAC Name: N-(2-methylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide
SYSTEMATIC NAME: N-(2-methylphenyl)-1-azabicyclo[2.2.2]octane-3-carboxamide
MOLECULAR FORMULA: C15H20N2O
MOLECULAR WEIGHT: 244.3321
SMILES: CC1=CC=CC=C1NC(=O)C2CN3CCC2CC3
Structure:
CAS RN: 133647-19-5
CAS Name: 8-[3-(tert-butylamino)-2-hydroxypropoxy]-4H-1,4-benzothiazin-3-one
OPENEYE Name: 8-[3-(tert-butylamino)-2-hydroxy-propoxy]-4H-1,4-benzothiazin-3-one
IUPAC Name: 8-[3-(tert-butylamino)-2-hydroxypropoxy]-4H-1,4-benzothiazin-3-one
SYSTEMATIC NAME: 8-[3-(tert-butylamino)-2-oxidanyl-propoxy]-4H-1,4-benzothiazin-3-one
MOLECULAR FORMULA: C15H22N2O3S
MOLECULAR WEIGHT: 310.41178
SMILES: CC(C)(C)NCC(COC1=CC=CC2=C1SCC(=O)N2)O
Structure:
CAS RN: 133632-84-5
CAS Name: propanoic acid [[[(3R,4aS,5R,6R,6aR,10R,10aS,10bR)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f][1]benzopyran-5-yl]oxy-oxomethyl]amino] ester
OPENEYE Name: [[(3R,4aS,5R,6R,6aR,10R,10aS,10bR)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl]oxycarbonylamino] propanoate
IUPAC Name: [[(3R,4aS,5R,6R,6aR,10R,10aS,10bR)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl]oxycarbonylamino] propanoate
SYSTEMATIC NAME: [[(3R,4aS,5R,6R,6aR,10R,10aS,10bR)-3-ethenyl-3,4a,7,7,10a-pentamethyl-6,10,10b-tris(oxidanyl)-1-oxidanylidene-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl]oxycarbonylamino] propanoate
MOLECULAR FORMULA: C24H37NO9
MOLECULAR WEIGHT: 483.55188
SMILES: CCC(=O)ONC(=O)O[C@@H]1[C@@H]([C@H]2[C@@]([C@@H](CCC2(C)C)O)([C@]3([C@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O
Structure:
CAS RN: 133571-34-3
CAS Name: 4b,5,9b,10-tetrahydroindeno[1,2-b]indole
OPENEYE Name: 4b,5,9b,10-tetrahydroindeno[1,2-b]indole
IUPAC Name: 4b,5,9b,10-tetrahydroindeno[1,2-b]indole
SYSTEMATIC NAME: 4b,5,9b,10-tetrahydroindeno[1,2-b]indole
MOLECULAR FORMULA: C15H13N
MOLECULAR WEIGHT: 207.27042
SMILES: C1C2C(C3=CC=CC=C31)NC4=CC=CC=C24
Structure:
CAS RN: 133565-20-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H32O8
MOLECULAR WEIGHT: 448.50608
SMILES: CC1(CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1(C)O)OC)OC)OC)OC)OC)OC)O
Structure:
CAS RN: 133563-07-2
CAS Name: 1,3-dimethyl-7-[2-[methyl(1-phenylpropan-2-yl)amino]ethyl]purine-2,6-dione
OPENEYE Name: 1,3-dimethyl-7-[2-[methyl-(1-methyl-2-phenyl-ethyl)amino]ethyl]purine-2,6-dione
IUPAC Name: 1,3-dimethyl-7-[2-[methyl(1-phenylpropan-2-yl)amino]ethyl]purine-2,6-dione
SYSTEMATIC NAME: 1,3-dimethyl-7-[2-[methyl(1-phenylpropan-2-yl)amino]ethyl]purine-2,6-dione
MOLECULAR FORMULA: C19H25N5O2
MOLECULAR WEIGHT: 355.4341
SMILES: CC(CC1=CC=CC=C1)N(C)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C
Structure:
CAS RN: 133560-91-5
CAS Name: 2-[3-[3-(carboxymethyl)phenyl]azophenyl]acetic acid
OPENEYE Name: 2-[3-[3-(carboxymethyl)phenyl]azophenyl]acetic acid
IUPAC Name: 2-[3-[[3-(carboxymethyl)phenyl]diazenyl]phenyl]acetic acid
SYSTEMATIC NAME: 2-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]diazenyl]phenyl]ethanoic acid
MOLECULAR FORMULA: C16H14N2O4
MOLECULAR WEIGHT: 298.29336
SMILES: C1=CC(=CC(=C1)N=NC2=CC=CC(=C2)CC(=O)O)CC(=O)O
Structure:
CAS RN: 133536-28-4
CAS Name: (2S,7R)-10,11,11-trimethyl-7-phenylmethoxy-2-(phenylthio)-5-bicyclo[5.3.1]undec-1(10)-enone
OPENEYE Name: (2S,7R)-7-benzyloxy-10,11,11-trimethyl-2-phenylsulfanyl-bicyclo[5.3.1]undec-1(10)-en-5-one
IUPAC Name: (2S,7R)-10,11,11-trimethyl-7-phenylmethoxy-2-phenylsulfanylbicyclo[5.3.1]undec-1(10)-en-5-one
SYSTEMATIC NAME: (2S,7R)-10,11,11-trimethyl-7-phenylmethoxy-2-phenylsulfanyl-bicyclo[5.3.1]undec-1(10)-en-5-one
MOLECULAR FORMULA: C27H32O2S
MOLECULAR WEIGHT: 420.60678
SMILES: CC1=C2[C@H](CCC(=O)C[C@@](C2(C)C)(CC1)OCC3=CC=CC=C3)SC4=CC=CC=C4
Structure:
CAS RN: 133525-12-9
CAS Name: 4-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-3-(1H-indol-3-yl)-2-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-1-oxopropyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
OPENEYE Name: 4-[[(1S,2S)-1-[[(1S,2S)-1-[[(2S)-3-(1H-indol-3-yl)-2-[(4-methyl-2-oxo-chromen-7-yl)amino]propanoyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-4-oxo-butanoic acid
IUPAC Name: 4-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-3-(1H-indol-3-yl)-2-[(4-methyl-2-oxochromen-7-yl)amino]propanoyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-3-(1H-indol-3-yl)-2-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]propanoyl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C37H45N5O8
MOLECULAR WEIGHT: 687.7819
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC3=CC4=C(C=C3)C(=CC(=O)O4)C)NC(=O)CCC(=O)O
Structure:
CAS RN: 133525-11-8
CAS Name: (2S)-1-[(2S)-2-[[(2S)-3-carboxy-2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-(methylamino)-1-oxoethyl]amino]-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(2S)-2-[[(2S)-3-carboxy-2-[[2-[[(2S)-5-guanidino-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-3-carboxy-2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(2S)-2-[[(2S)-2-[2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[2-(methylamino)ethanoylamino]pentanoyl]amino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C23H39N9O10
MOLECULAR WEIGHT: 601.61006
SMILES: CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O
Structure:
CAS RN: 133513-11-8
CAS Name: 2-(4-ethyl-1-piperazinyl)-4-(1-pyrrolidinyl)-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5,5-dioxide
OPENEYE Name: 2-(4-ethylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5,5-dioxide
IUPAC Name: 2-(4-ethylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5,5-dioxide
SYSTEMATIC NAME: 2-(4-ethylpiperazin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5,5-dioxide
MOLECULAR FORMULA: C17H27N5O2S
MOLECULAR WEIGHT: 365.49358
SMILES: CCN1CCN(CC1)C2=NC3=C(C(=N2)N4CCCC4)S(=O)(=O)CCC3
Structure:
CAS RN: 133510-11-9
CAS Name: 4-methyl-3-[4-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]phenyl]-4,5-dihydro-1H-pyridazin-6-one
OPENEYE Name: 4-methyl-3-[4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one
IUPAC Name: 4-methyl-3-[4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one
SYSTEMATIC NAME: 4-methyl-3-[4-[4-(2-phenylethanoyl)piperazin-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one
MOLECULAR FORMULA: C23H26N4O2
MOLECULAR WEIGHT: 390.47814
SMILES: CC1CC(=O)NN=C1C2=CC=C(C=C2)N3CCN(CC3)C(=O)CC4=CC=CC=C4
Structure:
CAS RN: 133430-69-0
CAS Name: 4-[[N-[(3-fluorophenyl)methyl]-4-(2-quinolinylmethoxy)anilino]methyl]benzoic acid
OPENEYE Name: 4-[[N-[(3-fluorophenyl)methyl]-4-(2-quinolylmethoxy)anilino]methyl]benzoic acid
IUPAC Name: 4-[[N-[(3-fluorophenyl)methyl]-4-(quinolin-2-ylmethoxy)anilino]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[(3-fluorophenyl)methyl-[4-(quinolin-2-ylmethoxy)phenyl]amino]methyl]benzoic acid
MOLECULAR FORMULA: C31H25FN2O3
MOLECULAR WEIGHT: 492.540203
SMILES: C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)N(CC4=CC=C(C=C4)C(=O)O)CC5=CC(=CC=C5)F
Structure:
CAS RN: 133407-20-2
CAS Name: 1-[4-acetyl-2-[(3-hydroxy-1-pyrrolidinyl)methyl]-1-piperazinyl]-2-(3,4-dichlorophenyl)ethanone
OPENEYE Name: 1-[4-acetyl-2-[(3-hydroxypyrrolidin-1-yl)methyl]piperazin-1-yl]-2-(3,4-dichlorophenyl)ethanone
IUPAC Name: 1-[4-acetyl-2-[(3-hydroxypyrrolidin-1-yl)methyl]piperazin-1-yl]-2-(3,4-dichlorophenyl)ethanone
SYSTEMATIC NAME: 2-(3,4-dichlorophenyl)-1-[4-ethanoyl-2-[(3-oxidanylpyrrolidin-1-yl)methyl]piperazin-1-yl]ethanone
MOLECULAR FORMULA: C19H25Cl2N3O3
MOLECULAR WEIGHT: 414.3261
SMILES: CC(=O)N1CCN(C(C1)CN2CCC(C2)O)C(=O)CC3=CC(=C(C=C3)Cl)Cl
Structure:
CAS RN: 133397-82-7
CAS Name: (2S)-3-(3-carbamimidoylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]propanoic acid
OPENEYE Name: (2S)-3-(3-carbamimidoylphenyl)-2-[[2-(p-tolylsulfonylamino)acetyl]amino]propanoic acid
IUPAC Name: (2S)-3-(3-carbamimidoylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]propanoic acid
SYSTEMATIC NAME: (2S)-3-(3-carbamimidoylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]ethanoylamino]propanoic acid
MOLECULAR FORMULA: C19H22N4O5S
MOLECULAR WEIGHT: 418.46678
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N[C@@H](CC2=CC=CC(=C2)C(=N)N)C(=O)O
Structure:
CAS RN: 133397-81-6
CAS Name: (2S)-3-(3-carbamimidoylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]propanoic acid methyl ester
OPENEYE Name: methyl (2S)-3-(3-carbamimidoylphenyl)-2-[[2-(p-tolylsulfonylamino)acetyl]amino]propanoate
IUPAC Name: methyl (2S)-3-(3-carbamimidoylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]propanoate
SYSTEMATIC NAME: methyl (2S)-3-(3-carbamimidoylphenyl)-2-[2-[(4-methylphenyl)sulfonylamino]ethanoylamino]propanoate
MOLECULAR FORMULA: C20H24N4O5S
MOLECULAR WEIGHT: 432.49336
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N[C@@H](CC2=CC=CC(=C2)C(=N)N)C(=O)OC
Structure:
CAS RN: 133368-73-7
CAS Name: 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid 3-fluoropropyl ester
OPENEYE Name: 3-fluoropropyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
IUPAC Name: 3-fluoropropyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
SYSTEMATIC NAME: 3-fluoranylpropyl 8-fluoranyl-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
MOLECULAR FORMULA: C16H15F2N3O3
MOLECULAR WEIGHT: 335.305406
SMILES: CN1CC2=C(N=CN2C3=C(C1=O)C=C(C=C3)F)C(=O)OCCCF
Structure:
CAS RN: 133368-71-5
CAS Name: 8-fluoro-5-(3-fluoropropyl)-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 8-fluoro-5-(3-fluoropropyl)-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
IUPAC Name: ethyl 8-fluoro-5-(3-fluoropropyl)-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
SYSTEMATIC NAME: ethyl 8-fluoranyl-5-(3-fluoranylpropyl)-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
MOLECULAR FORMULA: C17H17F2N3O3
MOLECULAR WEIGHT: 349.331986
SMILES: CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)CCCF
Structure:
CAS RN: 133368-69-1
CAS Name: 8-chloro-3-(3-fluoropropyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
OPENEYE Name: 8-chloro-3-(3-fluoropropyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
IUPAC Name: 8-chloro-3-(3-fluoropropyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
SYSTEMATIC NAME: 8-chloranyl-3-(3-fluoranylpropyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
MOLECULAR FORMULA: C19H21ClFNO
MOLECULAR WEIGHT: 333.827543
SMILES: C1CN(CC(C2=CC(=C(C=C21)Cl)O)C3=CC=CC=C3)CCCF
Structure:
CAS RN: 133358-74-4
CAS Name: N-[(2S)-1-(12-aminododecylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide
OPENEYE Name: N-[(1S)-2-(12-aminododecylamino)-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]butanamide
IUPAC Name: N-[(2S)-1-(12-aminododecylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide
SYSTEMATIC NAME: N-[(2S)-1-(12-azanyldodecylamino)-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]butanamide
MOLECULAR FORMULA: C25H43N3O3
MOLECULAR WEIGHT: 433.62722
SMILES: CCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCCCCCCCCCCCCN
Structure:
CAS RN: 133342-59-3
CAS Name: 2,2-diphenylpropanoic acid 2-[ethyl(2-hydroxyethyl)amino]ethyl ester
OPENEYE Name: 2-[ethyl(2-hydroxyethyl)amino]ethyl 2,2-diphenylpropanoate
IUPAC Name: 2-[ethyl(2-hydroxyethyl)amino]ethyl 2,2-diphenylpropanoate
SYSTEMATIC NAME: 2-[ethyl(2-hydroxyethyl)amino]ethyl 2,2-diphenylpropanoate
MOLECULAR FORMULA: C21H27NO3
MOLECULAR WEIGHT: 341.44398
SMILES: CCN(CCO)CCOC(=O)C(C)(C1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 133338-58-6
CAS Name: 2-[(3,4-dichlorophenyl)methylamino]-3,7-dihydropurin-6-one
OPENEYE Name: 2-[(3,4-dichlorophenyl)methylamino]-3,7-dihydropurin-6-one
IUPAC Name: 2-[(3,4-dichlorophenyl)methylamino]-3,7-dihydropurin-6-one
SYSTEMATIC NAME: 2-[(3,4-dichlorophenyl)methylamino]-3,7-dihydropurin-6-one
MOLECULAR FORMULA: C12H9Cl2N5O
MOLECULAR WEIGHT: 310.13876
SMILES: C1=CC(=C(C=C1CNC2=NC(=O)C3=C(N2)N=CN3)Cl)Cl
Structure:
CAS RN: 133331-01-8
CAS Name: octadecanoic acid 2-[2,2-bis[2-(1-oxooctadecoxy)ethoxymethyl]butoxy]ethyl ester
OPENEYE Name: 2-[2,2-bis(2-octadecanoyloxyethoxymethyl)butoxy]ethyl octadecanoate
IUPAC Name: 2-[2,2-bis(2-octadecanoyloxyethoxymethyl)butoxy]ethyl octadecanoate
SYSTEMATIC NAME: 2-[2,2-bis(2-octadecanoyloxyethoxymethyl)butoxy]ethyl octadecanoate
MOLECULAR FORMULA: C66H128O9
MOLECULAR WEIGHT: 1065.71712
SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCOCC(CC)(COCCOC(=O)CCCCCCCCCCCCCCCCC)COCCOC(=O)CCCCCCCCCCCCCCCCC
Structure:
CAS RN: 133321-35-4
CAS Name: (2S)-2-amino-3-hydroxypropanoic acid [hexadecoxy(hydroxy)phosphoryl] ester
OPENEYE Name: [hexadecoxy(hydroxy)phosphoryl] (2S)-2-amino-3-hydroxy-propanoate
IUPAC Name: [hexadecoxy(hydroxy)phosphoryl] (2S)-2-amino-3-hydroxypropanoate
SYSTEMATIC NAME: [hexadecoxy(oxidanyl)phosphoryl] (2S)-2-azanyl-3-oxidanyl-propanoate
MOLECULAR FORMULA: C19H40NO6P
MOLECULAR WEIGHT: 409.497761
SMILES: CCCCCCCCCCCCCCCCOP(=O)(O)OC(=O)[C@H](CO)N
Structure:
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