CAS RN: 2496-39-1
CAS Name: 2-(2,4-dichlorophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
OPENEYE Name: 2-(2,4-dichlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyleneamino]acetamide
IUPAC Name: 2-(2,4-dichlorophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]acetamide
SYSTEMATIC NAME: 2-[2,4-bis(chloranyl)phenoxy]-N-[[4-(dimethylamino)phenyl]methylideneamino]ethanamide
MOLECULAR FORMULA: C17H17Cl2N3O2
MOLECULAR WEIGHT: 366.24178
SMILES: CN(C)C1=CC=C(C=C1)C=NNC(=O)COC2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 59345-63-0
CAS Name: 3-[3,5-bis[3-(diethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-diethyl-1-propanamine
OPENEYE Name: 3-[3,5-bis[3-(diethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-diethyl-propan-1-amine
IUPAC Name: 3-[3,5-bis[3-(diethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-diethylpropan-1-amine
SYSTEMATIC NAME: 3-[3,5-bis[3-(diethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-diethyl-propan-1-amine
MOLECULAR FORMULA: C24H54N6
MOLECULAR WEIGHT: 426.72576
SMILES: CCN(CC)CCCN1CN(CN(C1)CCCN(CC)CC)CCCN(CC)CC
Structure:
CAS RN: 72966-45-1
CAS Name: 4-[4-[3,5-bis[4-(4-morpholinyl)butyl]-1,3,5-triazinan-1-yl]butyl]morpholine
OPENEYE Name: 4-[4-[3,5-bis(4-morpholinobutyl)-1,3,5-triazinan-1-yl]butyl]morpholine
IUPAC Name: 4-[4-[3,5-bis(4-morpholin-4-ylbutyl)-1,3,5-triazinan-1-yl]butyl]morpholine
SYSTEMATIC NAME: 4-[4-[3,5-bis(4-morpholin-4-ylbutyl)-1,3,5-triazinan-1-yl]butyl]morpholine
MOLECULAR FORMULA: C27H54N6O3
MOLECULAR WEIGHT: 510.75606
SMILES: C1COCCN1CCCCN2CN(CN(C2)CCCCN3CCOCC3)CCCCN4CCOCC4
Structure:
CAS RN: 13604-13-2
CAS Name: 2-(ethenylthio)-1,3-benzothiazole
OPENEYE Name: 2-vinylsulfanyl-1,3-benzothiazole
IUPAC Name: 2-ethenylsulfanyl-1,3-benzothiazole
SYSTEMATIC NAME: 2-ethenylsulfanyl-1,3-benzothiazole
MOLECULAR FORMULA: C9H7NS2
MOLECULAR WEIGHT: 193.28858
SMILES: C=CSC1=NC2=CC=CC=C2S1
Structure:
CAS RN: 39809-81-9
CAS Name: 2,2,2-trichloro-N1,N1'-bis(3-nitrophenyl)ethane-1,1-diamine
OPENEYE Name: 2,2,2-trichloro-N1,N1'-bis(3-nitrophenyl)ethane-1,1-diamine
IUPAC Name: 2,2,2-trichloro-1-N,1-N'-bis(3-nitrophenyl)ethane-1,1-diamine
SYSTEMATIC NAME: 2,2,2-tris(chloranyl)-N1,N1'-bis(3-nitrophenyl)ethane-1,1-diamine
MOLECULAR FORMULA: C14H11Cl3N4O4
MOLECULAR WEIGHT: 405.62054
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])NC(C(Cl)(Cl)Cl)NC2=CC(=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 83320-61-0
CAS Name: N1,N1'-bis(4-bromophenyl)-2,2,2-trichloroethane-1,1-diamine
OPENEYE Name: N1,N1'-bis(4-bromophenyl)-2,2,2-trichloro-ethane-1,1-diamine
IUPAC Name: 1-N,1-N'-bis(4-bromophenyl)-2,2,2-trichloroethane-1,1-diamine
SYSTEMATIC NAME: N1,N1'-bis(4-bromophenyl)-2,2,2-tris(chloranyl)ethane-1,1-diamine
MOLECULAR FORMULA: C14H11Br2Cl3N2
MOLECULAR WEIGHT: 473.41754
SMILES: C1=CC(=CC=C1NC(C(Cl)(Cl)Cl)NC2=CC=C(C=C2)Br)Br
Structure:
CAS RN: 17253-14-4
CAS Name: 2-(1,3-benzodioxol-5-yl)indene-1,3-dione
OPENEYE Name: 2-(1,3-benzodioxol-5-yl)indane-1,3-dione
IUPAC Name: 2-(1,3-benzodioxol-5-yl)indene-1,3-dione
SYSTEMATIC NAME: 2-(1,3-benzodioxol-5-yl)indene-1,3-dione
MOLECULAR FORMULA: C16H10O4
MOLECULAR WEIGHT: 266.2482
SMILES: C1OC2=C(O1)C=C(C=C2)C3C(=O)C4=CC=CC=C4C3=O
Structure:
CAS RN: 54979-78-1
CAS Name: 2-chloro-N-(2-pyridinyl)benzamide
OPENEYE Name: 2-chloro-N-(2-pyridyl)benzamide
IUPAC Name: 2-chloro-N-pyridin-2-ylbenzamide
SYSTEMATIC NAME: 2-chloranyl-N-pyridin-2-yl-benzamide
MOLECULAR FORMULA: C12H9ClN2O
MOLECULAR WEIGHT: 232.66566
SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=CC=N2)Cl
Structure:
CAS RN: 6261-38-7
CAS Name: N-(dimethylamino)-N-methylcarbamic acid ethyl ester
OPENEYE Name: ethyl N-(dimethylamino)-N-methyl-carbamate
IUPAC Name: ethyl N-(dimethylamino)-N-methylcarbamate
SYSTEMATIC NAME: ethyl N-(dimethylamino)-N-methyl-carbamate
MOLECULAR FORMULA: C6H14N2O2
MOLECULAR WEIGHT: 146.18756
SMILES: CCOC(=O)N(C)N(C)C
Structure:
CAS RN: 4271-09-4
CAS Name: 2-(1,3-benzothiazol-2-yl)-1,3-benzothiazole
OPENEYE Name: 2-(1,3-benzothiazol-2-yl)-1,3-benzothiazole
IUPAC Name: 2-(1,3-benzothiazol-2-yl)-1,3-benzothiazole
SYSTEMATIC NAME: 2-(1,3-benzothiazol-2-yl)-1,3-benzothiazole
MOLECULAR FORMULA: C14H8N2S2
MOLECULAR WEIGHT: 268.35672
SMILES: C1=CC=C2C(=C1)N=C(S2)C3=NC4=CC=CC=C4S3
Structure:
CAS RN: 194-63-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H12O
MOLECULAR WEIGHT: 268.30868
SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=C(O3)C=CC5=CC=CC=C54
Structure:
CAS RN: 939-83-3
CAS Name: 2-methyl-5-nitrobenzonitrile
OPENEYE Name: 2-methyl-5-nitro-benzonitrile
IUPAC Name: 2-methyl-5-nitrobenzonitrile
SYSTEMATIC NAME: 2-methyl-5-nitro-benzenecarbonitrile
MOLECULAR FORMULA: C8H6N2O2
MOLECULAR WEIGHT: 162.14544
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C#N
Structure:
CAS RN: 4316-57-8
CAS Name: 4-nitro-N,N-diphenylaniline
OPENEYE Name: 4-nitro-N,N-diphenyl-aniline
IUPAC Name: 4-nitro-N,N-diphenylaniline
SYSTEMATIC NAME: 4-nitro-N,N-diphenyl-aniline
MOLECULAR FORMULA: C18H14N2O2
MOLECULAR WEIGHT: 290.31596
SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 52236-44-9
CAS Name: 10,10-bis(3-oxo-3-phenylpropyl)-9-anthracenone
OPENEYE Name: 10,10-bis(3-oxo-3-phenyl-propyl)anthracen-9-one
IUPAC Name: 10,10-bis(3-oxo-3-phenylpropyl)anthracen-9-one
SYSTEMATIC NAME: 10,10-bis(3-oxidanylidene-3-phenyl-propyl)anthracen-9-one
MOLECULAR FORMULA: C32H26O3
MOLECULAR WEIGHT: 458.54704
SMILES: C1=CC=C(C=C1)C(=O)CCC2(C3=CC=CC=C3C(=O)C4=CC=CC=C42)CCC(=O)C5=CC=CC=C5
Structure:
CAS RN: 2942-07-6
CAS Name: 5-nitro-1,3-benzothiazole
OPENEYE Name: 5-nitro-1,3-benzothiazole
IUPAC Name: 5-nitro-1,3-benzothiazole
SYSTEMATIC NAME: 5-nitro-1,3-benzothiazole
MOLECULAR FORMULA: C7H4N2O2S
MOLECULAR WEIGHT: 180.18386
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])N=CS2
Structure:
CAS RN: 7344-23-2
CAS Name: acetic acid [3-acetyloxy-2-(acetyloxymethyl)-2-nitropropyl] ester
OPENEYE Name: [3-acetoxy-2-(acetoxymethyl)-2-nitro-propyl] acetate
IUPAC Name: [3-acetyloxy-2-(acetyloxymethyl)-2-nitropropyl] acetate
SYSTEMATIC NAME: [3-acetyloxy-2-(acetyloxymethyl)-2-nitro-propyl] ethanoate
MOLECULAR FORMULA: C10H15NO8
MOLECULAR WEIGHT: 277.228
SMILES: CC(=O)OCC(COC(=O)C)(COC(=O)C)[N+](=O)[O-]
Structure:
CAS RN: 31956-78-2
CAS Name: 1,2,2-triphenylethenol
OPENEYE Name: 1,2,2-triphenylethenol
IUPAC Name: 1,2,2-triphenylethenol
SYSTEMATIC NAME: 1,2,2-triphenylethenol
MOLECULAR FORMULA: C20H16O
MOLECULAR WEIGHT: 272.34044
SMILES: C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)O)C3=CC=CC=C3
Structure:
CAS RN: 2127-11-9
CAS Name: 5-nitro-2-[(5-nitro-2-pyridinyl)thio]pyridine
OPENEYE Name: 5-nitro-2-[(5-nitro-2-pyridyl)sulfanyl]pyridine
IUPAC Name: 5-nitro-2-(5-nitropyridin-2-yl)sulfanylpyridine
SYSTEMATIC NAME: 5-nitro-2-(5-nitropyridin-2-yl)sulfanyl-pyridine
MOLECULAR FORMULA: C10H6N4O4S
MOLECULAR WEIGHT: 278.24404
SMILES: C1=CC(=NC=C1[N+](=O)[O-])SC2=NC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 55034-35-0
CAS Name: 2-cyano-N-(diaminomethylidene)acetamide
OPENEYE Name: 2-cyano-N-(diaminomethylene)acetamide
IUPAC Name: 2-cyano-N-(diaminomethylidene)acetamide
SYSTEMATIC NAME: N-[bis(azanyl)methylidene]-2-cyano-ethanamide
MOLECULAR FORMULA: C4H6N4O
MOLECULAR WEIGHT: 126.11664
SMILES: C(C#N)C(=O)N=C(N)N
Structure:
CAS RN: 92313-18-3
CAS Name: 4-hydroxy-5-(1-oxobutylamino)naphthalene-2,7-disulfonic acid
OPENEYE Name: 4-(butanoylamino)-5-hydroxy-naphthalene-2,7-disulfonic acid
IUPAC Name: 4-(butanoylamino)-5-hydroxynaphthalene-2,7-disulfonic acid
SYSTEMATIC NAME: 4-(butanoylamino)-5-oxidanyl-naphthalene-2,7-disulfonic acid
MOLECULAR FORMULA: C14H15NO8S2
MOLECULAR WEIGHT: 389.4008
SMILES: CCCC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2O)S(=O)(=O)O
Structure:
CAS RN: 6259-71-8
CAS Name: 2-(3-aminophenyl)-6-hydroxy-8-benzo[g][1,3]benzothiazolesulfonic acid
OPENEYE Name: 2-(3-aminophenyl)-6-hydroxy-benzo[g][1,3]benzothiazole-8-sulfonic acid
IUPAC Name: 2-(3-aminophenyl)-6-hydroxybenzo[g][1,3]benzothiazole-8-sulfonic acid
SYSTEMATIC NAME: 2-(3-aminophenyl)-6-oxidanyl-benzo[g][1,3]benzothiazole-8-sulfonic acid
MOLECULAR FORMULA: C17H12N2O4S2
MOLECULAR WEIGHT: 372.41818
SMILES: C1=CC(=CC(=C1)N)C2=NC3=C(S2)C4=CC(=CC(=C4C=C3)O)S(=O)(=O)O
Structure:
CAS RN: 42574-40-3
CAS Name: N,N-dimethyl-1-buta-2,3-dienamine
OPENEYE Name: N,N-dimethylbuta-2,3-dien-1-amine
IUPAC Name: N,N-dimethylbuta-2,3-dien-1-amine
SYSTEMATIC NAME: N,N-dimethylbuta-2,3-dien-1-amine
MOLECULAR FORMULA: C6H11N
MOLECULAR WEIGHT: 97.15824
SMILES: CN(C)CC=C=C
Structure:
CAS RN: 49645-14-9
CAS Name: N-ethyl-N-[4-[ethyl(formyl)amino]phenyl]formamide
OPENEYE Name: N-ethyl-N-[4-[ethyl(formyl)amino]phenyl]formamide
IUPAC Name: N-ethyl-N-[4-[ethyl(formyl)amino]phenyl]formamide
SYSTEMATIC NAME: N-ethyl-N-[4-[ethyl(methanoyl)amino]phenyl]methanamide
MOLECULAR FORMULA: C12H16N2O2
MOLECULAR WEIGHT: 220.26764
SMILES: CCN(C=O)C1=CC=C(C=C1)N(CC)C=O
Structure:
CAS RN: 63619-32-9
CAS Name: 2-[[4-(diethylamino)phenyl]methylidene]propanedinitrile
OPENEYE Name: 2-[[4-(diethylamino)phenyl]methylene]propanedinitrile
IUPAC Name: 2-[[4-(diethylamino)phenyl]methylidene]propanedinitrile
SYSTEMATIC NAME: 2-[[4-(diethylamino)phenyl]methylidene]propanedinitrile
MOLECULAR FORMULA: C14H15N3
MOLECULAR WEIGHT: 225.289
SMILES: CCN(CC)C1=CC=C(C=C1)C=C(C#N)C#N
Structure:
CAS RN: 86912-93-8
CAS Name: 2-[2-(4-nitrophenyl)ethenyl]-1,3-benzothiazole
OPENEYE Name: 2-[2-(4-nitrophenyl)vinyl]-1,3-benzothiazole
IUPAC Name: 2-[2-(4-nitrophenyl)ethenyl]-1,3-benzothiazole
SYSTEMATIC NAME: 2-[2-(4-nitrophenyl)ethenyl]-1,3-benzothiazole
MOLECULAR FORMULA: C15H10N2O2S
MOLECULAR WEIGHT: 282.3171
SMILES: C1=CC=C2C(=C1)N=C(S2)C=CC3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 1069-33-6
CAS Name: 2,5-diaminohexanedioic acid
OPENEYE Name: 2,5-diaminohexanedioic acid
IUPAC Name: 2,5-diaminohexanedioic acid
SYSTEMATIC NAME: 2,5-bis(azanyl)hexanedioic acid
MOLECULAR FORMULA: C6H12N2O4
MOLECULAR WEIGHT: 176.17048
SMILES: C(CC(C(=O)O)N)C(C(=O)O)N
Structure:
CAS RN: 60366-38-3
CAS Name: 4-nitro-1,2-diphenylbenzene
OPENEYE Name: 4-nitro-1,2-diphenyl-benzene
IUPAC Name: 4-nitro-1,2-diphenylbenzene
SYSTEMATIC NAME: 4-nitro-1,2-diphenyl-benzene
MOLECULAR FORMULA: C18H13NO2
MOLECULAR WEIGHT: 275.30132
SMILES: C1=CC=C(C=C1)C2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3
Structure:
CAS RN: 10569-67-2
CAS Name: 3,4-diphenylaniline
OPENEYE Name: 3,4-diphenylaniline
IUPAC Name: 3,4-diphenylaniline
SYSTEMATIC NAME: 3,4-diphenylaniline
MOLECULAR FORMULA: C18H15N
MOLECULAR WEIGHT: 245.3184
SMILES: C1=CC=C(C=C1)C2=C(C=C(C=C2)N)C3=CC=CC=C3
Structure:
CAS RN: 28023-87-2
CAS Name: 3,4-diphenylphenol
OPENEYE Name: 3,4-diphenylphenol
IUPAC Name: 3,4-diphenylphenol
SYSTEMATIC NAME: 3,4-diphenylphenol
MOLECULAR FORMULA: C18H14O
MOLECULAR WEIGHT: 246.30316
SMILES: C1=CC=C(C=C1)C2=C(C=C(C=C2)O)C3=CC=CC=C3
Structure:
CAS RN: 7293-45-0
CAS Name: 4-(4-phenylphenyl)aniline
OPENEYE Name: 4-(4-phenylphenyl)aniline
IUPAC Name: 4-(4-phenylphenyl)aniline
SYSTEMATIC NAME: 4-(4-phenylphenyl)aniline
MOLECULAR FORMULA: C18H15N
MOLECULAR WEIGHT: 245.3184
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)N
Structure:
CAS RN: 5728-67-6
CAS Name: 4-(3-phenylphenyl)aniline
OPENEYE Name: 4-(3-phenylphenyl)aniline
IUPAC Name: 4-(3-phenylphenyl)aniline
SYSTEMATIC NAME: 4-(3-phenylphenyl)aniline
MOLECULAR FORMULA: C18H15N
MOLECULAR WEIGHT: 245.3184
SMILES: C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=C(C=C3)N
Structure:
CAS RN: 94623-33-3
CAS Name: N-(3,4-diphenylphenyl)acetamide
OPENEYE Name: N-(3,4-diphenylphenyl)acetamide
IUPAC Name: N-(3,4-diphenylphenyl)acetamide
SYSTEMATIC NAME: N-(3,4-diphenylphenyl)ethanamide
MOLECULAR FORMULA: C20H17NO
MOLECULAR WEIGHT: 287.35508
SMILES: CC(=O)NC1=CC(=C(C=C1)C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 5553-88-8
CAS Name: 2-[(2,4,6-trimethylphenyl)methyl]propanedinitrile
OPENEYE Name: 2-[(2,4,6-trimethylphenyl)methyl]propanedinitrile
IUPAC Name: 2-[(2,4,6-trimethylphenyl)methyl]propanedinitrile
SYSTEMATIC NAME: 2-[(2,4,6-trimethylphenyl)methyl]propanedinitrile
MOLECULAR FORMULA: C13H14N2
MOLECULAR WEIGHT: 198.26366
SMILES: CC1=CC(=C(C(=C1)C)CC(C#N)C#N)C
Structure:
CAS RN: 5553-91-3
CAS Name: 2-(thiophen-2-ylmethyl)propanedinitrile
OPENEYE Name: 2-(2-thienylmethyl)propanedinitrile
IUPAC Name: 2-(thiophen-2-ylmethyl)propanedinitrile
SYSTEMATIC NAME: 2-(thiophen-2-ylmethyl)propanedinitrile
MOLECULAR FORMULA: C8H6N2S
MOLECULAR WEIGHT: 162.21164
SMILES: C1=CSC(=C1)CC(C#N)C#N
Structure:
CAS RN: 5553-89-9
CAS Name: 2-[(2,5-dimethylphenyl)methyl]propanedinitrile
OPENEYE Name: 2-[(2,5-dimethylphenyl)methyl]propanedinitrile
IUPAC Name: 2-[(2,5-dimethylphenyl)methyl]propanedinitrile
SYSTEMATIC NAME: 2-[(2,5-dimethylphenyl)methyl]propanedinitrile
MOLECULAR FORMULA: C12H12N2
MOLECULAR WEIGHT: 184.23708
SMILES: CC1=CC(=C(C=C1)C)CC(C#N)C#N
Structure:
CAS RN: 56992-87-1
CAS Name: 2-methyl-N-(4-sulfamoylphenyl)-2-propenamide
OPENEYE Name: 2-methyl-N-(4-sulfamoylphenyl)prop-2-enamide
IUPAC Name: 2-methyl-N-(4-sulfamoylphenyl)prop-2-enamide
SYSTEMATIC NAME: 2-methyl-N-(4-sulfamoylphenyl)prop-2-enamide
MOLECULAR FORMULA: C10H12N2O3S
MOLECULAR WEIGHT: 240.27888
SMILES: CC(=C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N
Structure:
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