CAS RN: 5482-95-1
CAS Name: 2-(4-methoxyanilino)benzoic acid
OPENEYE Name: 2-(4-methoxyanilino)benzoic acid
IUPAC Name: 2-(4-methoxyanilino)benzoic acid
SYSTEMATIC NAME: 2-[(4-methoxyphenyl)amino]benzoic acid
MOLECULAR FORMULA: C14H13NO3
MOLECULAR WEIGHT: 243.25792
SMILES: COC1=CC=C(C=C1)NC2=CC=CC=C2C(=O)O
Structure:
CAS RN: 13484-13-4
CAS Name: 4-(2-oxiranyl)-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene
OPENEYE Name: 4-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene
IUPAC Name: 4-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene
SYSTEMATIC NAME: 4-(oxiran-2-yl)-7-oxabicyclo[4.1.0]hepta-1(6),2,4-triene
MOLECULAR FORMULA: C8H6O2
MOLECULAR WEIGHT: 134.13204
SMILES: C1C(O1)C2=CC3=C(O3)C=C2
Structure:
CAS RN: 13482-49-0
CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; terbium(3+)
OPENEYE Name: terbium(3+) citrate
IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; terbium(3+)
SYSTEMATIC NAME: 2-oxidanylpropane-1,2,3-tricarboxylate; terbium(3+)
MOLECULAR FORMULA: C6H5O7Tb
MOLECULAR WEIGHT: 348.02504
SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Tb+3]
Structure:
CAS RN: 13481-63-5
CAS Name: 2-(2H-tetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline
OPENEYE Name: 2-(2H-tetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline
IUPAC Name: 2-(2H-tetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline
SYSTEMATIC NAME: 2-(2H-1,2,3,4-tetrazol-5-yl)-N-[3-(trifluoromethyl)phenyl]aniline
MOLECULAR FORMULA: C14H10F3N5
MOLECULAR WEIGHT: 305.25791
SMILES: C1=CC=C(C(=C1)C2=NNN=N2)NC3=CC=CC(=C3)C(F)(F)F
Structure:
CAS RN: 13480-29-0
CAS Name: 1-(4-methyl-3-phenylphenyl)-4-(phenylmethyl)piperazine; oxalic acid
OPENEYE Name: 1-benzyl-4-(4-methyl-3-phenyl-phenyl)piperazine; oxalic acid
IUPAC Name: 1-benzyl-4-(4-methyl-3-phenylphenyl)piperazine; oxalic acid
SYSTEMATIC NAME: ethanedioic acid; 1-(4-methyl-3-phenyl-phenyl)-4-(phenylmethyl)piperazine
MOLECULAR FORMULA: C26H28N2O4
MOLECULAR WEIGHT: 432.51152
SMILES: CC1=C(C=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O
Structure:
CAS RN: 13480-28-9
CAS Name: 1-methyl-4-(4-methyl-3-phenylphenyl)piperazine; oxalic acid
OPENEYE Name: 1-methyl-4-(4-methyl-3-phenyl-phenyl)piperazine; oxalic acid
IUPAC Name: 1-methyl-4-(4-methyl-3-phenylphenyl)piperazine; oxalic acid
SYSTEMATIC NAME: ethanedioic acid; 1-methyl-4-(4-methyl-3-phenyl-phenyl)piperazine
MOLECULAR FORMULA: C20H24N2O4
MOLECULAR WEIGHT: 356.41556
SMILES: CC1=C(C=C(C=C1)N2CCN(CC2)C)C3=CC=CC=C3.C(=O)(C(=O)O)O
Structure:
CAS RN: 13480-21-2
CAS Name: 1-methyl-4-phenylpiperazine; oxalic acid
OPENEYE Name: 1-methyl-4-phenyl-piperazine; oxalic acid
IUPAC Name: 1-methyl-4-phenylpiperazine; oxalic acid
SYSTEMATIC NAME: ethanedioic acid; 1-methyl-4-phenyl-piperazine
MOLECULAR FORMULA: C13H18N2O4
MOLECULAR WEIGHT: 266.29302
SMILES: CN1CCN(CC1)C2=CC=CC=C2.C(=O)(C(=O)O)O
Structure:
CAS RN: 13480-16-5
CAS Name: 1-(2-methyl-5-phenylphenyl)-4-(phenylmethyl)piperazine-2,6-dione
OPENEYE Name: 4-benzyl-1-(2-methyl-5-phenyl-phenyl)piperazine-2,6-dione
IUPAC Name: 4-benzyl-1-(2-methyl-5-phenylphenyl)piperazine-2,6-dione
SYSTEMATIC NAME: 1-(2-methyl-5-phenyl-phenyl)-4-(phenylmethyl)piperazine-2,6-dione
MOLECULAR FORMULA: C24H22N2O2
MOLECULAR WEIGHT: 370.44368
SMILES: CC1=C(C=C(C=C1)C2=CC=CC=C2)N3C(=O)CN(CC3=O)CC4=CC=CC=C4
Structure:
CAS RN: 13480-13-2
CAS Name: 1-(3-chloro-4-methylphenyl)-4-(phenylmethyl)piperazine-2,6-dione
OPENEYE Name: 4-benzyl-1-(3-chloro-4-methyl-phenyl)piperazine-2,6-dione
IUPAC Name: 4-benzyl-1-(3-chloro-4-methylphenyl)piperazine-2,6-dione
SYSTEMATIC NAME: 1-(3-chloranyl-4-methyl-phenyl)-4-(phenylmethyl)piperazine-2,6-dione
MOLECULAR FORMULA: C18H17ClN2O2
MOLECULAR WEIGHT: 328.79278
SMILES: CC1=C(C=C(C=C1)N2C(=O)CN(CC2=O)CC3=CC=CC=C3)Cl
Structure:
CAS RN: 13479-26-0
CAS Name: 5-methyl-2-propan-2-yl-4-[2,2,2-trichloro-1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)ethyl]phenol
OPENEYE Name: 2-isopropyl-5-methyl-4-[2,2,2-trichloro-1-(4-hydroxy-5-isopropyl-2-methyl-phenyl)ethyl]phenol
IUPAC Name: 5-methyl-2-propan-2-yl-4-[2,2,2-trichloro-1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)ethyl]phenol
SYSTEMATIC NAME: 5-methyl-2-propan-2-yl-4-[2,2,2-tris(chloranyl)-1-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)ethyl]phenol
MOLECULAR FORMULA: C22H27Cl3O2
MOLECULAR WEIGHT: 429.80758
SMILES: CC1=CC(=C(C=C1C(C2=CC(=C(C=C2C)O)C(C)C)C(Cl)(Cl)Cl)C(C)C)O
Structure:
CAS RN: 13479-10-2
CAS Name: 1-(azidosulfonylamino)-4-chlorobenzene
OPENEYE Name: 1-(azidosulfonylamino)-4-chloro-benzene
IUPAC Name: 1-(azidosulfonylamino)-4-chlorobenzene
SYSTEMATIC NAME: 1-(azidosulfonylamino)-4-chloranyl-benzene
MOLECULAR FORMULA: C6H5ClN4O2S
MOLECULAR WEIGHT: 232.6475
SMILES: C1=CC(=CC=C1NS(=O)(=O)N=[N+]=[N-])Cl
Structure:
CAS RN: 13478-88-1
CAS Name: hex-5-enyl(trimethyl)ammonium iodide
OPENEYE Name: hex-5-enyl(trimethyl)ammonium iodide
IUPAC Name: hex-5-enyl(trimethyl)azanium iodide
SYSTEMATIC NAME: hex-5-enyl(trimethyl)azanium iodide
MOLECULAR FORMULA: C9H20IN
MOLECULAR WEIGHT: 269.16627
SMILES: C[N+](C)(C)CCCCC=C.[I-]
Structure:
CAS RN: 13463-26-8
CAS Name: 5-[(4-chlorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
OPENEYE Name: 5-[(4-chlorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
IUPAC Name: 5-[(4-chlorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
SYSTEMATIC NAME: 5-[(4-chlorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
MOLECULAR FORMULA: C8H7ClN4O4S3
MOLECULAR WEIGHT: 354.81358
SMILES: C1=CC(=CC=C1S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N)Cl
Structure:
CAS RN: 13452-85-2
CAS Name: N2,N2,N4,N4-tetramethyl-6-(1-pyrrolidinyl)-1,3,5-triazine-2,4-diamine
OPENEYE Name: N2,N2,N4,N4-tetramethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
IUPAC Name: 2-N,2-N,4-N,4-N-tetramethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: N2,N2,N4,N4-tetramethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C11H20N6
MOLECULAR WEIGHT: 236.3167
SMILES: CN(C)C1=NC(=NC(=N1)N2CCCC2)N(C)C
Structure:
CAS RN: 13452-66-9
CAS Name: N,N-dimethyl-3-(2-phenyl-1-indolizinyl)propanamide
OPENEYE Name: N,N-dimethyl-3-(2-phenylindolizin-1-yl)propanamide
IUPAC Name: N,N-dimethyl-3-(2-phenylindolizin-1-yl)propanamide
SYSTEMATIC NAME: N,N-dimethyl-3-(2-phenylindolizin-1-yl)propanamide
MOLECULAR FORMULA: C19H20N2O
MOLECULAR WEIGHT: 292.3749
SMILES: CN(C)C(=O)CCC1=C2C=CC=CN2C=C1C3=CC=CC=C3
Structure:
CAS RN: 13452-61-4
CAS Name: N-methyl-2-(2-phenyl-1-indolizinyl)ethanamine
OPENEYE Name: N-methyl-2-(2-phenylindolizin-1-yl)ethanamine
IUPAC Name: N-methyl-2-(2-phenylindolizin-1-yl)ethanamine
SYSTEMATIC NAME: N-methyl-2-(2-phenylindolizin-1-yl)ethanamine
MOLECULAR FORMULA: C17H18N2
MOLECULAR WEIGHT: 250.33822
SMILES: CNCCC1=C2C=CC=CN2C=C1C3=CC=CC=C3
Structure:
CAS RN: 13452-60-3
CAS Name: N,N-dimethyl-2-(2-phenyl-1-indolizinyl)ethanamine
OPENEYE Name: N,N-dimethyl-2-(2-phenylindolizin-1-yl)ethanamine
IUPAC Name: N,N-dimethyl-2-(2-phenylindolizin-1-yl)ethanamine
SYSTEMATIC NAME: N,N-dimethyl-2-(2-phenylindolizin-1-yl)ethanamine
MOLECULAR FORMULA: C18H20N2
MOLECULAR WEIGHT: 264.3648
SMILES: CN(C)CCC1=C2C=CC=CN2C=C1C3=CC=CC=C3
Structure:
CAS RN: 13452-59-0
CAS Name: N,N-dimethyl-3-(2-phenyl-1-indolizinyl)-1-propanamine
OPENEYE Name: N,N-dimethyl-3-(2-phenylindolizin-1-yl)propan-1-amine
IUPAC Name: N,N-dimethyl-3-(2-phenylindolizin-1-yl)propan-1-amine
SYSTEMATIC NAME: N,N-dimethyl-3-(2-phenylindolizin-1-yl)propan-1-amine
MOLECULAR FORMULA: C19H22N2
MOLECULAR WEIGHT: 278.39138
SMILES: CN(C)CCCC1=C2C=CC=CN2C=C1C3=CC=CC=C3
Structure:
CAS RN: 13452-58-9
CAS Name: N,N-dimethyl-1-(2-phenyl-1-indolizinyl)methanamine
OPENEYE Name: N,N-dimethyl-1-(2-phenylindolizin-1-yl)methanamine
IUPAC Name: N,N-dimethyl-1-(2-phenylindolizin-1-yl)methanamine
SYSTEMATIC NAME: N,N-dimethyl-1-(2-phenylindolizin-1-yl)methanamine
MOLECULAR FORMULA: C17H18N2
MOLECULAR WEIGHT: 250.33822
SMILES: CN(C)CC1=C2C=CC=CN2C=C1C3=CC=CC=C3
Structure:
CAS RN: 13451-93-9
CAS Name: 3-(ethylamino)-1,1,3-triphenyl-1-propanol
OPENEYE Name: 3-(ethylamino)-1,1,3-triphenyl-propan-1-ol
IUPAC Name: 3-(ethylamino)-1,1,3-triphenylpropan-1-ol
SYSTEMATIC NAME: 3-(ethylamino)-1,1,3-triphenyl-propan-1-ol
MOLECULAR FORMULA: C23H25NO
MOLECULAR WEIGHT: 331.4507
SMILES: CCNC(CC(C1=CC=CC=C1)(C2=CC=CC=C2)O)C3=CC=CC=C3
Structure:
CAS RN: 13451-19-9
CAS Name: terbium(3+) trinitrate hexahydrate
OPENEYE Name: terbium(3+) trinitrate hexahydrate
IUPAC Name: terbium(3+) trinitrate hexahydrate
SYSTEMATIC NAME: terbium(3+) trinitrate hexahydrate
MOLECULAR FORMULA: H12N3O15Tb
MOLECULAR WEIGHT: 453.03172
SMILES: [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[Tb+3]
Structure:
CAS RN: 13449-20-2
CAS Name: 1-(azidosulfonylamino)-4-methylbenzene
OPENEYE Name: 1-(azidosulfonylamino)-4-methyl-benzene
IUPAC Name: 1-(azidosulfonylamino)-4-methylbenzene
SYSTEMATIC NAME: 1-(azidosulfonylamino)-4-methyl-benzene
MOLECULAR FORMULA: C7H8N4O2S
MOLECULAR WEIGHT: 212.22902
SMILES: CC1=CC=C(C=C1)NS(=O)(=O)N=[N+]=[N-]
Structure:
CAS RN: 13446-18-9
CAS Name: magnesium dinitrate hexahydrate
OPENEYE Name: magnesium dinitrate hexahydrate
IUPAC Name: magnesium dinitrate hexahydrate
SYSTEMATIC NAME: magnesium dinitrate hexahydrate
MOLECULAR FORMULA: H12MgN2O12
MOLECULAR WEIGHT: 256.40648
SMILES: [N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[Mg+2]
Structure:
CAS RN: 13440-26-1
CAS Name: (1R,2S,3R)-1-(6-methyl-2-pyrazinyl)butane-1,2,3,4-tetrol
OPENEYE Name: (1R,2S,3R)-1-(6-methylpyrazin-2-yl)butane-1,2,3,4-tetrol
IUPAC Name: (1R,2S,3R)-1-(6-methylpyrazin-2-yl)butane-1,2,3,4-tetrol
SYSTEMATIC NAME: (1R,2S,3R)-1-(6-methylpyrazin-2-yl)butane-1,2,3,4-tetrol
MOLECULAR FORMULA: C9H14N2O4
MOLECULAR WEIGHT: 214.21846
SMILES: CC1=CN=CC(=N1)[C@H]([C@@H]([C@@H](CO)O)O)O
Structure:
CAS RN: 13434-20-3
CAS Name: 3-(1-prop-2-ynyl-2-pyridin-1-iumyl)-1-propanol bromide
OPENEYE Name: 3-(1-prop-2-ynylpyridin-1-ium-2-yl)propan-1-ol bromide
IUPAC Name: 3-(1-prop-2-ynylpyridin-1-ium-2-yl)propan-1-ol bromide
SYSTEMATIC NAME: 3-(1-prop-2-ynylpyridin-1-ium-2-yl)propan-1-ol bromide
MOLECULAR FORMULA: C11H14BrNO
MOLECULAR WEIGHT: 256.13896
SMILES: C#CC[N+]1=CC=CC=C1CCCO.[Br-]
Structure:
CAS RN: 13434-19-0
CAS Name: 2-(1-prop-2-ynyl-2-pyridin-1-iumyl)ethanol bromide
OPENEYE Name: 2-(1-prop-2-ynylpyridin-1-ium-2-yl)ethanol bromide
IUPAC Name: 2-(1-prop-2-ynylpyridin-1-ium-2-yl)ethanol bromide
SYSTEMATIC NAME: 2-(1-prop-2-ynylpyridin-1-ium-2-yl)ethanol bromide
MOLECULAR FORMULA: C10H12BrNO
MOLECULAR WEIGHT: 242.11238
SMILES: C#CC[N+]1=CC=CC=C1CCO.[Br-]
Structure:
CAS RN: 13432-66-1
CAS Name: 2-chloro-2-(4-methoxyphenyl)-N,N-dimethylethanamine hydrochloride
OPENEYE Name: 2-chloro-2-(4-methoxyphenyl)-N,N-dimethyl-ethanamine hydrochloride
IUPAC Name: 2-chloro-2-(4-methoxyphenyl)-N,N-dimethylethanamine hydrochloride
SYSTEMATIC NAME: 2-chloranyl-2-(4-methoxyphenyl)-N,N-dimethyl-ethanamine hydrochloride
MOLECULAR FORMULA: C11H17Cl2NO
MOLECULAR WEIGHT: 250.16478
SMILES: CN(C)CC(C1=CC=C(C=C1)OC)Cl.Cl
Structure:
CAS RN: 13431-48-6
CAS Name: 2-octoxy-N-[2-(1-pyrrolidinyl)ethyl]benzamide
OPENEYE Name: 2-octoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
IUPAC Name: 2-octoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
SYSTEMATIC NAME: 2-octoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
MOLECULAR FORMULA: C21H34N2O2
MOLECULAR WEIGHT: 346.50686
SMILES: CCCCCCCCOC1=CC=CC=C1C(=O)NCCN2CCCC2
Structure:
CAS RN: 13430-11-0
CAS Name: 1-(4-chlorophenyl)-2-methyl-2-(1-piperidinyl)-1-propanone hydrochloride
OPENEYE Name: 1-(4-chlorophenyl)-2-methyl-2-(1-piperidyl)propan-1-one hydrochloride
IUPAC Name: 1-(4-chlorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-one hydrochloride
SYSTEMATIC NAME: 1-(4-chlorophenyl)-2-methyl-2-piperidin-1-yl-propan-1-one hydrochloride
MOLECULAR FORMULA: C15H21Cl2NO
MOLECULAR WEIGHT: 302.23934
SMILES: CC(C)(C(=O)C1=CC=C(C=C1)Cl)N2CCCCC2.Cl
Structure:
CAS RN: 13430-09-6
CAS Name: 2-methyl-1-phenyl-2-(1-piperidinyl)-1-propanone hydrochloride
OPENEYE Name: 2-methyl-1-phenyl-2-(1-piperidyl)propan-1-one hydrochloride
IUPAC Name: 2-methyl-1-phenyl-2-piperidin-1-ylpropan-1-one hydrochloride
SYSTEMATIC NAME: 2-methyl-1-phenyl-2-piperidin-1-yl-propan-1-one hydrochloride
MOLECULAR FORMULA: C15H22ClNO
MOLECULAR WEIGHT: 267.79428
SMILES: CC(C)(C(=O)C1=CC=CC=C1)N2CCCCC2.Cl
Structure:
CAS RN: 13427-00-4
CAS Name: 3-[2-(3-methyl-1-piperidinyl)ethyl]-1H-indole
OPENEYE Name: 3-[2-(3-methyl-1-piperidyl)ethyl]-1H-indole
IUPAC Name: 3-[2-(3-methylpiperidin-1-yl)ethyl]-1H-indole
SYSTEMATIC NAME: 3-[2-(3-methylpiperidin-1-yl)ethyl]-1H-indole
MOLECULAR FORMULA: C16H22N2
MOLECULAR WEIGHT: 242.35928
SMILES: CC1CCCN(C1)CCC2=CNC3=CC=CC=C32
Structure:
CAS RN: 13425-34-8
CAS Name: 3-(2-aminoethyl)-1H-indol-5-ol; hexanedioic acid
OPENEYE Name: adipic acid; 3-(2-aminoethyl)-1H-indol-5-ol
IUPAC Name: 3-(2-aminoethyl)-1H-indol-5-ol; hexanedioic acid
SYSTEMATIC NAME: 3-(2-azanylethyl)-1H-indol-5-ol; hexanedioic acid
MOLECULAR FORMULA: C16H22N2O5
MOLECULAR WEIGHT: 322.35628
SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN.C(CCC(=O)O)CC(=O)O
Structure:
CAS RN: 13421-48-2
CAS Name: N-carbamoyl-5-oxo-2-phenyl-2-oxolanecarboxamide
OPENEYE Name: N-carbamoyl-5-oxo-2-phenyl-tetrahydrofuran-2-carboxamide
IUPAC Name: N-carbamoyl-5-oxo-2-phenyloxolane-2-carboxamide
SYSTEMATIC NAME: N-aminocarbonyl-5-oxidanylidene-2-phenyl-oxolane-2-carboxamide
MOLECULAR FORMULA: C12H12N2O4
MOLECULAR WEIGHT: 248.23468
SMILES: C1CC(OC1=O)(C2=CC=CC=C2)C(=O)NC(=O)N
Structure:
CAS RN: 13413-53-1
CAS Name: 6,6-dimethyl-1-[4-[(4-nitrophenyl)thio]phenyl]-1,3,5-triazine-2,4-diamine hydrochloride
OPENEYE Name: 6,6-dimethyl-1-[4-(4-nitrophenyl)sulfanylphenyl]-1,3,5-triazine-2,4-diamine hydrochloride
IUPAC Name: 6,6-dimethyl-1-[4-(4-nitrophenyl)sulfanylphenyl]-1,3,5-triazine-2,4-diamine hydrochloride
SYSTEMATIC NAME: 6,6-dimethyl-1-[4-(4-nitrophenyl)sulfanylphenyl]-1,3,5-triazine-2,4-diamine hydrochloride
MOLECULAR FORMULA: C17H19ClN6O2S
MOLECULAR WEIGHT: 406.88976
SMILES: CC1(N=C(N=C(N1C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])N)N)C.Cl
Structure:
CAS RN: 13409-72-8
CAS Name: 2-(2-chloroethyl)pyrrolidine hydrochloride
OPENEYE Name: 2-(2-chloroethyl)pyrrolidine hydrochloride
IUPAC Name: 2-(2-chloroethyl)pyrrolidine hydrochloride
SYSTEMATIC NAME: 2-(2-chloroethyl)pyrrolidine hydrochloride
MOLECULAR FORMULA: C6H13Cl2N
MOLECULAR WEIGHT: 170.08012
SMILES: C1CC(NC1)CCCl.Cl
Structure:
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