CAS RN: 65363-07-7
CAS Name: 2-cyclopropyl-2-(4-methylphenyl)acetic acid [cyano-(3-phenoxyphenyl)methyl] ester
OPENEYE Name: [cyano-(3-phenoxyphenyl)methyl] 2-cyclopropyl-2-(p-tolyl)acetate
IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 2-cyclopropyl-2-(4-methylphenyl)acetate
SYSTEMATIC NAME: [cyano-(3-phenoxyphenyl)methyl] 2-cyclopropyl-2-(4-methylphenyl)ethanoate
MOLECULAR FORMULA: C26H23NO3
MOLECULAR WEIGHT: 397.46572
SMILES: CC1=CC=C(C=C1)C(C2CC2)C(=O)OC(C#N)C3=CC(=CC=C3)OC4=CC=CC=C4
Structure:
CAS RN: 65348-43-8
CAS Name: 2-[[4-[4-(4-fluorophenyl)-4-oxobutyl]-1-piperazinyl]-oxomethyl]benzoic acid
OPENEYE Name: 2-[4-[4-(4-fluorophenyl)-4-oxo-butyl]piperazine-1-carbonyl]benzoic acid
IUPAC Name: 2-[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carbonyl]benzoic acid
SYSTEMATIC NAME: 2-[4-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]piperazin-1-yl]carbonylbenzoic acid
MOLECULAR FORMULA: C22H23FN2O4
MOLECULAR WEIGHT: 398.427423
SMILES: C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3C(=O)O
Structure:
CAS RN: 65337-66-8
CAS Name: dipotassium (2R)-3-[[2-carboxylato-2-[(1-oxo-2-phenylethyl)amino]ethyl]disulfanyl]-2-[(1-oxo-2-phenylethyl)amino]propanoate
OPENEYE Name: dipotassium (2R)-3-[[2-carboxylato-2-[(2-phenylacetyl)amino]ethyl]disulfanyl]-2-[(2-phenylacetyl)amino]propanoate
IUPAC Name: dipotassium (2R)-3-[[2-carboxylato-2-[(2-phenylacetyl)amino]ethyl]disulfanyl]-2-[(2-phenylacetyl)amino]propanoate
SYSTEMATIC NAME: dipotassium (2R)-3-[[3-oxidanidyl-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]disulfanyl]-2-(2-phenylethanoylamino)propanoate
MOLECULAR FORMULA: C22H22K2N2O6S2
MOLECULAR WEIGHT: 552.74648
SMILES: C1=CC=C(C=C1)CC(=O)N[C@@H](CSSCC(C(=O)[O-])NC(=O)CC2=CC=CC=C2)C(=O)[O-].[K+].[K+]
Structure:
CAS RN: 65336-05-2
CAS Name: 5-hydroxy-2-phenyl-1,3-thiazin-4-one; 2-methyl-N-(2-methylpropyl)-1-propanamine
OPENEYE Name: 5-hydroxy-2-phenyl-1,3-thiazin-4-one; N-isobutyl-2-methyl-propan-1-amine
IUPAC Name: 5-hydroxy-2-phenyl-1,3-thiazin-4-one; 2-methyl-N-(2-methylpropyl)propan-1-amine
SYSTEMATIC NAME: 2-methyl-N-(2-methylpropyl)propan-1-amine; 5-oxidanyl-2-phenyl-1,3-thiazin-4-one
MOLECULAR FORMULA: C18H26N2O2S
MOLECULAR WEIGHT: 334.47624
SMILES: CC(C)CNCC(C)C.C1=CC=C(C=C1)C2=NC(=O)C(=CS2)O
Structure:
CAS RN: 65331-56-8
CAS Name: 1-[amino-(ethylthio)phosphoryl]-1-pentanone
OPENEYE Name: 1-[amino(ethylsulfanyl)phosphoryl]pentan-1-one
IUPAC Name: 1-[amino(ethylsulfanyl)phosphoryl]pentan-1-one
SYSTEMATIC NAME: 1-[azanyl(ethylsulfanyl)phosphoryl]pentan-1-one
MOLECULAR FORMULA: C7H16NO2PS
MOLECULAR WEIGHT: 209.246201
SMILES: CCCCC(=O)P(=O)(N)SCC
Structure:
CAS RN: 65331-54-6
CAS Name: 1-[amino-(methylthio)phosphoryl]propane
OPENEYE Name: 1-[amino(methylsulfanyl)phosphoryl]propane
IUPAC Name: 1-[amino(methylsulfanyl)phosphoryl]propane
SYSTEMATIC NAME: 1-[azanyl(methylsulfanyl)phosphoryl]propane
MOLECULAR FORMULA: C4H12NOPS
MOLECULAR WEIGHT: 153.182941
SMILES: CCCP(=O)(N)SC
Structure:
CAS RN: 65326-27-4
CAS Name: carbamimidothioic acid (2-benzamido-3-phenylpropyl) ester hydrochloride
OPENEYE Name: N-(1-benzyl-2-carbamimidoylsulfanyl-ethyl)benzamide hydrochloride
IUPAC Name: (2-benzamido-3-phenylpropyl) carbamimidothioate hydrochloride
SYSTEMATIC NAME: (2-benzamido-3-phenyl-propyl) carbamimidothioate hydrochloride
MOLECULAR FORMULA: C17H20ClN3OS
MOLECULAR WEIGHT: 349.8782
SMILES: C1=CC=C(C=C1)CC(CSC(=N)N)NC(=O)C2=CC=CC=C2.Cl
Structure:
CAS RN: 65326-26-3
CAS Name: (1S,2S)-1-(dimethylamino)-1-phenyl-2-propanol hydrochloride
OPENEYE Name: (1S,2S)-1-(dimethylamino)-1-phenyl-propan-2-ol hydrochloride
IUPAC Name: (1S,2S)-1-(dimethylamino)-1-phenylpropan-2-ol hydrochloride
SYSTEMATIC NAME: (1S,2S)-1-(dimethylamino)-1-phenyl-propan-2-ol hydrochloride
MOLECULAR FORMULA: C11H18ClNO
MOLECULAR WEIGHT: 215.71972
SMILES: C[C@@H]([C@H](C1=CC=CC=C1)N(C)C)O.Cl
Structure:
CAS RN: 65320-59-4
CAS Name: propanoic acid (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) ester hydrobromide
OPENEYE Name: (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) propanoate hydrobromide
IUPAC Name: (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) propanoate hydrobromide
SYSTEMATIC NAME: (1-methyl-4-phenyl-3,6-dihydro-2H-pyridin-3-yl) propanoate hydrobromide
MOLECULAR FORMULA: C15H20BrNO2
MOLECULAR WEIGHT: 326.2288
SMILES: CCC(=O)OC1CN(CC=C1C2=CC=CC=C2)C.Br
Structure:
CAS RN: 63503-44-6
CAS Name: 3-methyl-1,3,4-thiadiazol-2-imine hydroiodide
OPENEYE Name: 3-methyl-1,3,4-thiadiazol-2-imine hydroiodide
IUPAC Name: 3-methyl-1,3,4-thiadiazol-2-imine hydroiodide
SYSTEMATIC NAME: 3-methyl-1,3,4-thiadiazol-2-imine hydroiodide
MOLECULAR FORMULA: C3H6IN3S
MOLECULAR WEIGHT: 243.06931
SMILES: CN1C(=N)SC=N1.I
Structure:
CAS RN: 65315-47-1
CAS Name: 3-methyl-1,3,4-thiadiazol-2-imine hydroiodide
OPENEYE Name: 3-methyl-1,3,4-thiadiazol-2-imine hydroiodide
IUPAC Name: 3-methyl-1,3,4-thiadiazol-2-imine hydroiodide
SYSTEMATIC NAME: 3-methyl-1,3,4-thiadiazol-2-imine hydroiodide
MOLECULAR FORMULA: C3H6IN3S
MOLECULAR WEIGHT: 243.06931
SMILES: CN1C(=N)SC=N1.I
Structure:
CAS RN: 80219-27-8
CAS Name: 3-methyl-1,3,4-thiadiazol-2-imine hydroiodide
OPENEYE Name: 3-methyl-1,3,4-thiadiazol-2-imine hydroiodide
IUPAC Name: 3-methyl-1,3,4-thiadiazol-2-imine hydroiodide
SYSTEMATIC NAME: 3-methyl-1,3,4-thiadiazol-2-imine hydroiodide
MOLECULAR FORMULA: C3H6IN3S
MOLECULAR WEIGHT: 243.06931
SMILES: CN1C(=N)SC=N1.I
Structure:
CAS RN: 65309-11-7
CAS Name: (2R)-2-[(3S)-3-[[2-amino-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-2-oxo-1-azetidinyl]-2-(4-hydroxyphenyl)acetic acid
OPENEYE Name: (2R)-2-[(3S)-3-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-2-oxo-azetidin-1-yl]-2-(4-hydroxyphenyl)acetic acid
IUPAC Name: (2R)-2-[(3S)-3-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-2-oxoazetidin-1-yl]-2-(4-hydroxyphenyl)acetic acid
SYSTEMATIC NAME: (2R)-2-[(3S)-3-[[2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-2-oxidanylidene-azetidin-1-yl]-2-(4-hydroxyphenyl)ethanoic acid
MOLECULAR FORMULA: C19H19N3O6
MOLECULAR WEIGHT: 385.37066
SMILES: C1[C@@H](C(=O)N1[C@H](C2=CC=C(C=C2)O)C(=O)O)NC(=O)C(C3=CC=C(C=C3)O)N
Structure:
CAS RN: 65290-91-7
CAS Name: N,N-bis(2-chloroethyl)-2-methoxy-10-phenothiazinecarboxamide
OPENEYE Name: N,N-bis(2-chloroethyl)-2-methoxy-phenothiazine-10-carboxamide
IUPAC Name: N,N-bis(2-chloroethyl)-2-methoxyphenothiazine-10-carboxamide
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-2-methoxy-phenothiazine-10-carboxamide
MOLECULAR FORMULA: C18H18Cl2N2O2S
MOLECULAR WEIGHT: 397.31872
SMILES: COC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)N(CCCl)CCCl
Structure:
CAS RN: 65289-80-7
CAS Name: 1-ethenyl-2-pyrrolidinone; 1-(2-phenyl-3-thiazolidinyl)-2-propen-1-one
OPENEYE Name: 1-(2-phenylthiazolidin-3-yl)prop-2-en-1-one; 1-vinylpyrrolidin-2-one
IUPAC Name: 1-ethenylpyrrolidin-2-one; 1-(2-phenyl-1,3-thiazolidin-3-yl)prop-2-en-1-one
SYSTEMATIC NAME: 1-ethenylpyrrolidin-2-one; 1-(2-phenyl-1,3-thiazolidin-3-yl)prop-2-en-1-one
MOLECULAR FORMULA: C18H22N2O2S
MOLECULAR WEIGHT: 330.44448
SMILES: C=CC(=O)N1CCSC1C2=CC=CC=C2.C=CN1CCCC1=O
Structure:
CAS RN: 65285-85-0
CAS Name: cyclohexane-1,2-diamine; hydron; platinum(2+); phosphate
OPENEYE Name: cyclohexane-1,2-diamine; hydron; platinum(2+); phosphate
IUPAC Name: cyclohexane-1,2-diamine; hydron; platinum(2+); phosphate
SYSTEMATIC NAME: cyclohexane-1,2-diamine; hydron; platinum(2+); phosphate
MOLECULAR FORMULA: C6H15N2O4PPt
MOLECULAR WEIGHT: 405.246061
SMILES: [H+].C1CCC(C(C1)N)N.[O-]P(=O)([O-])[O-].[Pt+2]
Structure:
CAS RN: 65285-76-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H18N2O
MOLECULAR WEIGHT: 254.32692
SMILES: CC1=CC2=C(C=C1)C3=C4N2C(=O)CCC4N(CC3)C
Structure:
CAS RN: 65285-74-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H13ClN2O
MOLECULAR WEIGHT: 260.71882
SMILES: C1CC(=O)N2C3=C(C4=C2C1NCC4)C(=CC=C3)Cl
Structure:
CAS RN: 65285-71-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H20N2O2
MOLECULAR WEIGHT: 284.3529
SMILES: C[C@H](CN1CCC2=C3[C@H]1CCC(=O)N3C4=CC=CC=C24)O
Structure:
CAS RN: 65285-70-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H18N2O2
MOLECULAR WEIGHT: 282.33702
SMILES: CC(=O)CN1CCC2=C3C1CCC(=O)N3C4=CC=CC=C24
Structure:
CAS RN: 65285-66-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H17FN2O3
MOLECULAR WEIGHT: 316.326883
SMILES: CN1CCC2=C3[C@H]1[C@H](CC(=O)N3C4=C2C=C(C=C4)F)C(=O)OC
Structure:
CAS RN: 65285-65-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H15ClN2O3
MOLECULAR WEIGHT: 318.7549
SMILES: COC(=O)[C@H]1CC(=O)N2C3=C(C=C(C=C3)Cl)C4=C2[C@H]1NCC4
Structure:
CAS RN: 65285-64-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H15ClN2O3
MOLECULAR WEIGHT: 318.7549
SMILES: COC(=O)[C@H]1CC(=O)N2C3=C(C=C(C=C3)Cl)C4=C2[C@@H]1NCC4
Structure:
CAS RN: 65285-62-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H19ClN2O2
MOLECULAR WEIGHT: 330.80866
SMILES: CC(=O)CCN1CCC2=C3C1CCC(=O)N3C4=C2C=C(C=C4)Cl
Structure:
CAS RN: 65285-60-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H13FN2O
MOLECULAR WEIGHT: 244.264223
SMILES: C1CC(=O)N2C3=C(C=C(C=C3)F)C4=C2C1NCC4
Structure:
CAS RN: 65285-59-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H15ClN2O
MOLECULAR WEIGHT: 274.7454
SMILES: CN1CCC2=C3C1CCC(=O)N3C4=C2C=C(C=C4)Cl
Structure:
CAS RN: 65285-55-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H26N2O7S
MOLECULAR WEIGHT: 450.50534
SMILES: CC(=O)CCN1CCC2=C3[C@H]1[C@H](CC(=O)N3C4=CC=CC=C24)C(=O)OC.CS(=O)(=O)O
Structure:
CAS RN: 65285-35-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H22N2O5S
MOLECULAR WEIGHT: 366.43198
SMILES: CN1CCC2=C3C1CCC(=O)N3C4=C2C=C(C=C4)OC.CS(=O)(=O)O
Structure:
CAS RN: 65285-31-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H22N2O2
MOLECULAR WEIGHT: 298.37948
SMILES: C[C@H](CCN1CCC2=C3[C@H]1CCC(=O)N3C4=CC=CC=C24)O
Structure:
CAS RN: 65285-28-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H20N2O2
MOLECULAR WEIGHT: 296.3636
SMILES: CC(=O)CCN1CCC2=C3C1CCC(=O)N3C4=CC=CC=C24
Structure:
CAS RN: 65285-23-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H24N2O6S
MOLECULAR WEIGHT: 408.46866
SMILES: CCOC(=O)[C@H]1CC(=O)N2C3=CC=CC=C3C4=C2[C@H]1N(CC4)C.CS(=O)(=O)O
Structure:
CAS RN: 65285-21-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H26N2O3S
MOLECULAR WEIGHT: 350.47564
SMILES: CCN1CCC2=C3C1CCC(N3C4=CC=CC=C24)C.CS(=O)(=O)O
Structure:
CAS RN: 65285-18-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H20N2
MOLECULAR WEIGHT: 252.3541
SMILES: CCN1CCC2=C3C1CC=C(N3C4=CC=CC=C24)C
Structure:
CAS RN: 65285-15-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H22N2O
MOLECULAR WEIGHT: 270.36938
SMILES: CCC1(CCC2C3=C(CCN2C)C4=CC=CC=C4N31)O
Structure:
CAS RN: 65285-14-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H24N2O
MOLECULAR WEIGHT: 284.39596
SMILES: CCCN1CCC2=C3C1CCC(N3C4=CC=CC=C24)(C)O
Structure:
CAS RN: 65285-13-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H22N2O
MOLECULAR WEIGHT: 270.36938
SMILES: CCN1CCC2=C3C1CCC(N3C4=CC=CC=C24)(C)O
Structure:
CAS RN: 65285-11-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H24N2O6S
MOLECULAR WEIGHT: 408.46866
SMILES: COC(=O)CCN1CCC2=C3C1CCC(=O)N3C4=CC=CC=C24.CS(=O)(=O)O
Structure:
CAS RN: 65285-03-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H20N2O
MOLECULAR WEIGHT: 268.3535
SMILES: CCCN1CCC2=C3C1CCC(=O)N3C4=CC=CC=C24
Structure:
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