CAS RN: 2608-10-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H27N3O
MOLECULAR WEIGHT: 325.44788
SMILES: CC(C)C(=O)NC[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C
Structure:
CAS RN: 2607-21-8
CAS Name: 1-[4-(4-chlorophenoxy)butyl]-4-phenylpiperazine
OPENEYE Name: 1-[4-(4-chlorophenoxy)butyl]-4-phenyl-piperazine
IUPAC Name: 1-[4-(4-chlorophenoxy)butyl]-4-phenylpiperazine
SYSTEMATIC NAME: 1-[4-(4-chloranylphenoxy)butyl]-4-phenyl-piperazine
MOLECULAR FORMULA: C20H25ClN2O
MOLECULAR WEIGHT: 344.8783
SMILES: C1CN(CCN1CCCCOC2=CC=C(C=C2)Cl)C3=CC=CC=C3
Structure:
CAS RN: 2605-70-1
CAS Name: 2-(diethoxyphosphinothioylthio)-N-methylacetamide
OPENEYE Name: 2-diethoxyphosphinothioylsulfanyl-N-methyl-acetamide
IUPAC Name: 2-diethoxyphosphinothioylsulfanyl-N-methylacetamide
SYSTEMATIC NAME: 2-diethoxyphosphinothioylsulfanyl-N-methyl-ethanamide
MOLECULAR FORMULA: C7H16NO3PS2
MOLECULAR WEIGHT: 257.310601
SMILES: CCOP(=S)(OCC)SCC(=O)NC
Structure:
CAS RN: 2599-38-4
CAS Name: butanedioic acid; N-[2-[methyl(2-phenylethyl)amino]propyl]-N-thiophen-2-ylpropanamide
OPENEYE Name: N-[2-[methyl(2-phenylethyl)amino]propyl]-N-(2-thienyl)propanamide; succinic acid
IUPAC Name: butanedioic acid; N-[2-[methyl(2-phenylethyl)amino]propyl]-N-thiophen-2-ylpropanamide
SYSTEMATIC NAME: butanedioic acid; N-[2-[methyl(2-phenylethyl)amino]propyl]-N-thiophen-2-yl-propanamide
MOLECULAR FORMULA: C23H32N2O5S
MOLECULAR WEIGHT: 448.57558
SMILES: CCC(=O)N(CC(C)N(C)CCC1=CC=CC=C1)C2=CC=CS2.C(CC(=O)O)C(=O)O
Structure:
CAS RN: 15105-29-0
CAS Name: acetic acid; 2-butanamine
OPENEYE Name: acetic acid; butan-2-amine
IUPAC Name: acetic acid; butan-2-amine
SYSTEMATIC NAME: butan-2-amine; ethanoic acid
MOLECULAR FORMULA: C6H15NO2
MOLECULAR WEIGHT: 133.1888
SMILES: CCC(C)N.CC(=O)O
Structure:
CAS RN: 2593-14-8
CAS Name: acetic acid; 2-butanamine
OPENEYE Name: acetic acid; butan-2-amine
IUPAC Name: acetic acid; butan-2-amine
SYSTEMATIC NAME: butan-2-amine; ethanoic acid
MOLECULAR FORMULA: C6H15NO2
MOLECULAR WEIGHT: 133.1888
SMILES: CCC(C)N.CC(=O)O
Structure:
CAS RN: 2591-74-4
CAS Name: N-[methoxy-(2,4,5-trichlorophenoxy)phosphinothioyl]ethanamine
OPENEYE Name: N-[methoxy-(2,4,5-trichlorophenoxy)phosphinothioyl]ethanamine
IUPAC Name: N-[methoxy-(2,4,5-trichlorophenoxy)phosphinothioyl]ethanamine
SYSTEMATIC NAME: N-[methoxy-[2,4,5-tris(chloranyl)phenoxy]phosphinothioyl]ethanamine
MOLECULAR FORMULA: C9H11Cl3NO2PS
MOLECULAR WEIGHT: 334.586901
SMILES: CCNP(=S)(OC)OC1=CC(=C(C=C1Cl)Cl)Cl
Structure:
CAS RN: 2590-00-3
CAS Name: N-(1-phenyl-4-pyrazolyl)acetamide
OPENEYE Name: N-(1-phenylpyrazol-4-yl)acetamide
IUPAC Name: N-(1-phenylpyrazol-4-yl)acetamide
SYSTEMATIC NAME: N-(1-phenylpyrazol-4-yl)ethanamide
MOLECULAR FORMULA: C11H11N3O
MOLECULAR WEIGHT: 201.22454
SMILES: CC(=O)NC1=CN(N=C1)C2=CC=CC=C2
Structure:
CAS RN: 2589-02-8
CAS Name: 2-[[2,6-dichloro-4-[2-[3,5-dichloro-4-(2-oxiranylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
OPENEYE Name: 2-[[2,6-dichloro-4-[1-[3,5-dichloro-4-(oxiran-2-ylmethoxy)phenyl]-1-methyl-ethyl]phenoxy]methyl]oxirane
IUPAC Name: 2-[[2,6-dichloro-4-[2-[3,5-dichloro-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
SYSTEMATIC NAME: 2-[[4-[2-[3,5-bis(chloranyl)-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]-2,6-bis(chloranyl)phenoxy]methyl]oxirane
MOLECULAR FORMULA: C21H20Cl4O4
MOLECULAR WEIGHT: 478.1931
SMILES: CC(C)(C1=CC(=C(C(=C1)Cl)OCC2CO2)Cl)C3=CC(=C(C(=C3)Cl)OCC4CO4)Cl
Structure:
CAS RN: 18913-84-3
CAS Name: 1-phenyl-N-prop-2-ynyl-2-propanamine
OPENEYE Name: 1-phenyl-N-prop-2-ynyl-propan-2-amine
IUPAC Name: 1-phenyl-N-prop-2-ynylpropan-2-amine
SYSTEMATIC NAME: 1-phenyl-N-prop-2-ynyl-propan-2-amine
MOLECULAR FORMULA: C12H15N
MOLECULAR WEIGHT: 173.2542
SMILES: CC(CC1=CC=CC=C1)NCC#C
Structure:
CAS RN: 2588-96-7
CAS Name: 1-phenyl-N-prop-2-ynyl-2-propanamine hydrochloride
OPENEYE Name: 1-phenyl-N-prop-2-ynyl-propan-2-amine hydrochloride
IUPAC Name: 1-phenyl-N-prop-2-ynylpropan-2-amine hydrochloride
SYSTEMATIC NAME: 1-phenyl-N-prop-2-ynyl-propan-2-amine hydrochloride
MOLECULAR FORMULA: C12H16ClN
MOLECULAR WEIGHT: 209.71514
SMILES: CC(CC1=CC=CC=C1)NCC#C.Cl
Structure:
CAS RN: 2588-35-4
CAS Name: N-[bis(1-aziridinyl)phosphoryl]-1-octanamine
OPENEYE Name: N-[bis(aziridin-1-yl)phosphoryl]octan-1-amine
IUPAC Name: N-[bis(aziridin-1-yl)phosphoryl]octan-1-amine
SYSTEMATIC NAME: N-[bis(aziridin-1-yl)phosphoryl]octan-1-amine
MOLECULAR FORMULA: C12H26N3OP
MOLECULAR WEIGHT: 259.328101
SMILES: CCCCCCCCNP(=O)(N1CC1)N2CC2
Structure:
CAS RN: 2585-36-6
CAS Name: oxalic acid; thiocyanic acid [2-(dimethylamino)-3-thiocyanatopropyl] ester
OPENEYE Name: [2-(dimethylamino)-3-thiocyanato-propyl] thiocyanate; oxalic acid
IUPAC Name: [2-(dimethylamino)-3-thiocyanatopropyl] thiocyanate; oxalic acid
SYSTEMATIC NAME: [2-(dimethylamino)-3-thiocyanato-propyl] thiocyanate; ethanedioic acid
MOLECULAR FORMULA: C9H13N3O4S2
MOLECULAR WEIGHT: 291.34722
SMILES: CN(C)C(CSC#N)CSC#N.C(=O)(C(=O)O)O
Structure:
CAS RN: 2572-59-0
CAS Name: benzenesulfonic acid [2-(benzenesulfonyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] ester
OPENEYE Name: [2-(benzenesulfonyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] benzenesulfonate
IUPAC Name: [2-(benzenesulfonyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] benzenesulfonate
SYSTEMATIC NAME: [2,2-bis(hydroxymethyl)-3-(phenylsulfonyloxy)propyl] benzenesulfonate
MOLECULAR FORMULA: C17H20O8S2
MOLECULAR WEIGHT: 416.4659
SMILES: C1=CC=C(C=C1)S(=O)(=O)OCC(CO)(CO)COS(=O)(=O)C2=CC=CC=C2
Structure:
CAS RN: 2568-57-2
CAS Name: 1-(3-phenylprop-2-ynyl)piperidine
OPENEYE Name: 1-(3-phenylprop-2-ynyl)piperidine
IUPAC Name: 1-(3-phenylprop-2-ynyl)piperidine
SYSTEMATIC NAME: 1-(3-phenylprop-2-ynyl)piperidine
MOLECULAR FORMULA: C14H17N
MOLECULAR WEIGHT: 199.29148
SMILES: C1CCN(CC1)CC#CC2=CC=CC=C2
Structure:
CAS RN: 2563-58-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H25ClN2O2
MOLECULAR WEIGHT: 384.8991
SMILES: C[N+]12CCC34[C@@H]1C[C@@H]5[C@@H]6[C@@H]3N(C(=O)C[C@@H]6OCC=C5C2)C7=CC=CC=C47.[Cl-]
Structure:
CAS RN: 2555-14-8
CAS Name: 1-prop-2-enylpyrrolidine-2,5-dione
OPENEYE Name: 1-allylpyrrolidine-2,5-dione
IUPAC Name: 1-prop-2-enylpyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-prop-2-enylpyrrolidine-2,5-dione
MOLECULAR FORMULA: C7H9NO2
MOLECULAR WEIGHT: 139.15186
SMILES: C=CCN1C(=O)CCC1=O
Structure:
CAS RN: 2554-66-7
CAS Name: (1-oxido-2-pyridin-1-iumyl)methanethiol hydrochloride
OPENEYE Name: (1-oxidopyridin-1-ium-2-yl)methanethiol hydrochloride
IUPAC Name: (1-oxidopyridin-1-ium-2-yl)methanethiol hydrochloride
SYSTEMATIC NAME: (1-oxidanidylpyridin-1-ium-2-yl)methanethiol hydrochloride
MOLECULAR FORMULA: C6H8ClNOS
MOLECULAR WEIGHT: 177.65182
SMILES: C1=CC=[N+](C(=C1)CS)[O-].Cl
Structure:
CAS RN: 2554-35-0
CAS Name: 3-methyl-4-(4-methylphenyl)azo-1,4-dihydropyrazol-5-one
OPENEYE Name: 3-methyl-4-(p-tolylazo)-1,4-dihydropyrazol-5-one
IUPAC Name: 3-methyl-4-[(4-methylphenyl)diazenyl]-1,4-dihydropyrazol-5-one
SYSTEMATIC NAME: 3-methyl-4-[(4-methylphenyl)diazenyl]-1,4-dihydropyrazol-5-one
MOLECULAR FORMULA: C11H12N4O
MOLECULAR WEIGHT: 216.23918
SMILES: CC1=CC=C(C=C1)N=NC2C(=NNC2=O)C
Structure:
CAS RN: 2544-52-7
CAS Name: 3-[(diethoxyphosphorylthio)methyl]-5-methyl-1,3,4-oxadiazol-2-one
OPENEYE Name: 3-(diethoxyphosphorylsulfanylmethyl)-5-methyl-1,3,4-oxadiazol-2-one
IUPAC Name: 3-(diethoxyphosphorylsulfanylmethyl)-5-methyl-1,3,4-oxadiazol-2-one
SYSTEMATIC NAME: 3-(diethoxyphosphorylsulfanylmethyl)-5-methyl-1,3,4-oxadiazol-2-one
MOLECULAR FORMULA: C8H15N2O5PS
MOLECULAR WEIGHT: 282.253861
SMILES: CCOP(=O)(OCC)SCN1C(=O)OC(=N1)C
Structure:
CAS RN: 2541-36-8
CAS Name: 3-(dimethylamino)-1-(4-fluorophenyl)-1-phenyl-1-propanol hydrochloride
OPENEYE Name: 3-(dimethylamino)-1-(4-fluorophenyl)-1-phenyl-propan-1-ol hydrochloride
IUPAC Name: 3-(dimethylamino)-1-(4-fluorophenyl)-1-phenylpropan-1-ol hydrochloride
SYSTEMATIC NAME: 3-(dimethylamino)-1-(4-fluorophenyl)-1-phenyl-propan-1-ol hydrochloride
MOLECULAR FORMULA: C17H21ClFNO
MOLECULAR WEIGHT: 309.806143
SMILES: CN(C)CCC(C1=CC=CC=C1)(C2=CC=C(C=C2)F)O.Cl
Structure:
CAS RN: 2537-28-2
CAS Name: 1-[4-(4-chlorophenoxy)butyl]-4-(2,3-dimethylphenyl)piperazine hydrochloride
OPENEYE Name: 1-[4-(4-chlorophenoxy)butyl]-4-(2,3-dimethylphenyl)piperazine hydrochloride
IUPAC Name: 1-[4-(4-chlorophenoxy)butyl]-4-(2,3-dimethylphenyl)piperazine hydrochloride
SYSTEMATIC NAME: 1-[4-(4-chloranylphenoxy)butyl]-4-(2,3-dimethylphenyl)piperazine hydrochloride
MOLECULAR FORMULA: C22H30Cl2N2O
MOLECULAR WEIGHT: 409.3924
SMILES: CC1=C(C(=CC=C1)N2CCN(CC2)CCCCOC3=CC=C(C=C3)Cl)C.Cl
Structure:
CAS RN: 2532-92-5
CAS Name: 4-(2-methyl-4-oxo-3-quinazolinyl)benzoic acid 2-(diethylamino)ethyl ester hydrochloride
OPENEYE Name: 2-(diethylamino)ethyl 4-(2-methyl-4-oxo-quinazolin-3-yl)benzoate hydrochloride
IUPAC Name: 2-(diethylamino)ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate hydrochloride
SYSTEMATIC NAME: 2-(diethylamino)ethyl 4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)benzoate hydrochloride
MOLECULAR FORMULA: C22H26ClN3O3
MOLECULAR WEIGHT: 415.91314
SMILES: CCN(CC)CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C.Cl
Structure:
CAS RN: 2532-86-7
CAS Name: 2-(2-fluorophenyl)acetic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester
OPENEYE Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(2-fluorophenyl)acetate
IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(2-fluorophenyl)acetate
SYSTEMATIC NAME: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(2-fluorophenyl)ethanoate
MOLECULAR FORMULA: C16H20FNO2
MOLECULAR WEIGHT: 277.333903
SMILES: CN1C2CCC1CC(C2)OC(=O)CC3=CC=CC=C3F
Structure:
CAS RN: 2619-05-8
CAS Name: 2-(2-fluorophenyl)acetic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester
OPENEYE Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(2-fluorophenyl)acetate
IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(2-fluorophenyl)acetate
SYSTEMATIC NAME: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(2-fluorophenyl)ethanoate
MOLECULAR FORMULA: C16H20FNO2
MOLECULAR WEIGHT: 277.333903
SMILES: CN1C2CCC1CC(C2)OC(=O)CC3=CC=CC=C3F
Structure:
CAS RN: 2525-83-9
CAS Name: 2,2,3,3,4,4-hexafluoro-1,5-diphenylpentane-1,5-dione
OPENEYE Name: 2,2,3,3,4,4-hexafluoro-1,5-diphenyl-pentane-1,5-dione
IUPAC Name: 2,2,3,3,4,4-hexafluoro-1,5-diphenylpentane-1,5-dione
SYSTEMATIC NAME: 2,2,3,3,4,4-hexakis(fluoranyl)-1,5-diphenyl-pentane-1,5-dione
MOLECULAR FORMULA: C17H10F6O2
MOLECULAR WEIGHT: 360.250519
SMILES: C1=CC=C(C=C1)C(=O)C(C(C(C(=O)C2=CC=CC=C2)(F)F)(F)F)(F)F
Structure:
CAS RN: 2520-50-5
CAS Name: 1-octyl-3-pyridin-1-iumcarboxamide chloride
OPENEYE Name: 1-octylpyridin-1-ium-3-carboxamide chloride
IUPAC Name: 1-octylpyridin-1-ium-3-carboxamide chloride
SYSTEMATIC NAME: 1-octylpyridin-1-ium-3-carboxamide chloride
MOLECULAR FORMULA: C14H23ClN2O
MOLECULAR WEIGHT: 270.79822
SMILES: CCCCCCCC[N+]1=CC=CC(=C1)C(=O)N.[Cl-]
Structure:
CAS RN: 2520-49-2
CAS Name: 1-decyl-3-pyridin-1-iumcarboxamide chloride
OPENEYE Name: 1-decylpyridin-1-ium-3-carboxamide chloride
IUPAC Name: 1-decylpyridin-1-ium-3-carboxamide chloride
SYSTEMATIC NAME: 1-decylpyridin-1-ium-3-carboxamide chloride
MOLECULAR FORMULA: C16H27ClN2O
MOLECULAR WEIGHT: 298.85138
SMILES: CCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)N.[Cl-]
Structure:
CAS RN: 2519-93-9
CAS Name: 2-(4-methoxyphenyl)-4,5-dihydrothiazole
OPENEYE Name: 2-(4-methoxyphenyl)-4,5-dihydrothiazole
IUPAC Name: 2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazole
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-4,5-dihydro-1,3-thiazole
MOLECULAR FORMULA: C10H11NOS
MOLECULAR WEIGHT: 193.26544
SMILES: COC1=CC=C(C=C1)C2=NCCS2
Structure:
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