CAS RN: 7650-83-1
CAS Name: phenyl(dipropyl)phosphine
OPENEYE Name: phenyl(dipropyl)phosphane
IUPAC Name: phenyl(dipropyl)phosphane
SYSTEMATIC NAME: phenyl(dipropyl)phosphane
MOLECULAR FORMULA: C12H19P
MOLECULAR WEIGHT: 194.253021
SMILES: CCCP(CCC)C1=CC=CC=C1
Structure:
CAS RN: 87365-18-2
CAS Name: phenyl(dipropyl)phosphine
OPENEYE Name: phenyl(dipropyl)phosphane
IUPAC Name: phenyl(dipropyl)phosphane
SYSTEMATIC NAME: phenyl(dipropyl)phosphane
MOLECULAR FORMULA: C12H19P
MOLECULAR WEIGHT: 194.253021
SMILES: CCCP(CCC)C1=CC=CC=C1
Structure:
CAS RN: 5921-83-5
CAS Name: 2-[10-(1,3-dioxo-2-benzo[de]isoquinolinyl)decyl]benzo[de]isoquinoline-1,3-dione
OPENEYE Name: 2-[10-(1,3-dioxobenzo[de]isoquinolin-2-yl)decyl]benzo[de]isoquinoline-1,3-dione
IUPAC Name: 2-[10-(1,3-dioxobenzo[de]isoquinolin-2-yl)decyl]benzo[de]isoquinoline-1,3-dione
SYSTEMATIC NAME: 2-[10-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]decyl]benzo[de]isoquinoline-1,3-dione
MOLECULAR FORMULA: C34H32N2O4
MOLECULAR WEIGHT: 532.62888
SMILES: C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCCCCCCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O
Structure:
CAS RN: 17280-49-8
CAS Name: 4-(4-iodoanilino)-4-oxo-2-butenoic acid
OPENEYE Name: 4-(4-iodoanilino)-4-oxo-but-2-enoic acid
IUPAC Name: 4-(4-iodoanilino)-4-oxobut-2-enoic acid
SYSTEMATIC NAME: 4-[(4-iodophenyl)amino]-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C10H8INO3
MOLECULAR WEIGHT: 317.07989
SMILES: C1=CC(=CC=C1NC(=O)C=CC(=O)O)I
Structure:
CAS RN: 19313-61-2
CAS Name: 1-(ethylthio)decane
OPENEYE Name: 1-ethylsulfanyldecane
IUPAC Name: 1-ethylsulfanyldecane
SYSTEMATIC NAME: 1-ethylsulfanyldecane
MOLECULAR FORMULA: C12H26S
MOLECULAR WEIGHT: 202.39984
SMILES: CCCCCCCCCCSCC
Structure:
CAS RN: 6375-17-3
CAS Name: N-(2-hydroxy-5-methylphenyl)acetamide
OPENEYE Name: N-(2-hydroxy-5-methyl-phenyl)acetamide
IUPAC Name: N-(2-hydroxy-5-methylphenyl)acetamide
SYSTEMATIC NAME: N-(5-methyl-2-oxidanyl-phenyl)ethanamide
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: CC1=CC(=C(C=C1)O)NC(=O)C
Structure:
CAS RN: 35350-37-9
CAS Name: 4-[(4-methoxycarbonyl-2-nitrophenyl)disulfanyl]-3-nitrobenzoic acid methyl ester
OPENEYE Name: methyl 4-[(4-methoxycarbonyl-2-nitro-phenyl)disulfanyl]-3-nitro-benzoate
IUPAC Name: methyl 4-[(4-methoxycarbonyl-2-nitrophenyl)disulfanyl]-3-nitrobenzoate
SYSTEMATIC NAME: methyl 4-[(4-methoxycarbonyl-2-nitro-phenyl)disulfanyl]-3-nitro-benzoate
MOLECULAR FORMULA: C16H12N2O8S2
MOLECULAR WEIGHT: 424.40508
SMILES: COC(=O)C1=CC(=C(C=C1)SSC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 16165-32-5
CAS Name: 5-ethoxy-2-phenyl-4H-pyrazol-3-one
OPENEYE Name: 5-ethoxy-2-phenyl-4H-pyrazol-3-one
IUPAC Name: 5-ethoxy-2-phenyl-4H-pyrazol-3-one
SYSTEMATIC NAME: 5-ethoxy-2-phenyl-4H-pyrazol-3-one
MOLECULAR FORMULA: C11H12N2O2
MOLECULAR WEIGHT: 204.22518
SMILES: CCOC1=NN(C(=O)C1)C2=CC=CC=C2
Structure:
CAS RN: 91-39-4
CAS Name: N-[(4-methylphenyl)methyl]-3-nitroaniline
OPENEYE Name: 3-nitro-N-(p-tolylmethyl)aniline
IUPAC Name: N-[(4-methylphenyl)methyl]-3-nitroaniline
SYSTEMATIC NAME: N-[(4-methylphenyl)methyl]-3-nitro-aniline
MOLECULAR FORMULA: C14H14N2O2
MOLECULAR WEIGHT: 242.27316
SMILES: CC1=CC=C(C=C1)CNC2=CC(=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 83800-95-7
CAS Name: 2-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
OPENEYE Name: 2-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
IUPAC Name: 2-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
SYSTEMATIC NAME: 2-(2,5-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
MOLECULAR FORMULA: C16H16N2O
MOLECULAR WEIGHT: 252.31104
SMILES: CC1=CC(=C(C=C1)C)C2NC3=CC=CC=C3C(=O)N2
Structure:
CAS RN: 60662-08-0
CAS Name: 1-(2,4-dinitrophenyl)-4-methylpiperidine
OPENEYE Name: 1-(2,4-dinitrophenyl)-4-methyl-piperidine
IUPAC Name: 1-(2,4-dinitrophenyl)-4-methylpiperidine
SYSTEMATIC NAME: 1-(2,4-dinitrophenyl)-4-methyl-piperidine
MOLECULAR FORMULA: C12H15N3O4
MOLECULAR WEIGHT: 265.2652
SMILES: CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 146137-59-9
CAS Name: 1-(2,4-dinitrophenyl)pyrrolidine
OPENEYE Name: 1-(2,4-dinitrophenyl)pyrrolidine
IUPAC Name: 1-(2,4-dinitrophenyl)pyrrolidine
SYSTEMATIC NAME: 1-(2,4-dinitrophenyl)pyrrolidine
MOLECULAR FORMULA: C10H11N3O4
MOLECULAR WEIGHT: 237.21204
SMILES: C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 82241-29-0
CAS Name: acetic acid 1,1,1-trichloropentan-2-yl ester
OPENEYE Name: 1-(trichloromethyl)butyl acetate
IUPAC Name: 1,1,1-trichloropentan-2-yl acetate
SYSTEMATIC NAME: 1,1,1-tris(chloranyl)pentan-2-yl ethanoate
MOLECULAR FORMULA: C7H11Cl3O2
MOLECULAR WEIGHT: 233.52004
SMILES: CCCC(C(Cl)(Cl)Cl)OC(=O)C
Structure:
CAS RN: 5205-07-2
CAS Name: 2-(1-naphthalenyloxy)acetyl chloride
OPENEYE Name: 2-(1-naphthyloxy)acetyl chloride
IUPAC Name: 2-naphthalen-1-yloxyacetyl chloride
SYSTEMATIC NAME: 2-naphthalen-1-yloxyethanoyl chloride
MOLECULAR FORMULA: C12H9ClO2
MOLECULAR WEIGHT: 220.65166
SMILES: C1=CC=C2C(=C1)C=CC=C2OCC(=O)Cl
Structure:
CAS RN: 2007-12-7
CAS Name: 2-(1-naphthalenyloxy)acetyl chloride
OPENEYE Name: 2-(1-naphthyloxy)acetyl chloride
IUPAC Name: 2-naphthalen-1-yloxyacetyl chloride
SYSTEMATIC NAME: 2-naphthalen-1-yloxyethanoyl chloride
MOLECULAR FORMULA: C12H9ClO2
MOLECULAR WEIGHT: 220.65166
SMILES: C1=CC=C2C(=C1)C=CC=C2OCC(=O)Cl
Structure:
CAS RN: 29949-16-4
CAS Name: 2,2-diphenylpentanenitrile
OPENEYE Name: 2,2-diphenylpentanenitrile
IUPAC Name: 2,2-diphenylpentanenitrile
SYSTEMATIC NAME: 2,2-diphenylpentanenitrile
MOLECULAR FORMULA: C17H17N
MOLECULAR WEIGHT: 235.32358
SMILES: CCCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 10397-22-5
CAS Name: 2-butoxyacetic acid butyl ester
OPENEYE Name: butyl 2-butoxyacetate
IUPAC Name: butyl 2-butoxyacetate
SYSTEMATIC NAME: butyl 2-butoxyethanoate
MOLECULAR FORMULA: C10H20O3
MOLECULAR WEIGHT: 188.264
SMILES: CCCCOCC(=O)OCCCC
Structure:
CAS RN: 41410-40-6
CAS Name: 1-cyano-2-(4-methylphenyl)guanidine
OPENEYE Name: 1-cyano-2-(p-tolyl)guanidine
IUPAC Name: 1-cyano-2-(4-methylphenyl)guanidine
SYSTEMATIC NAME: 1-cyano-2-(4-methylphenyl)guanidine
MOLECULAR FORMULA: C9H10N4
MOLECULAR WEIGHT: 174.2025
SMILES: CC1=CC=C(C=C1)N=C(N)NC#N
Structure:
CAS RN: 1693-39-6
CAS Name: N-(4-hydroxyphenyl)formamide
OPENEYE Name: N-(4-hydroxyphenyl)formamide
IUPAC Name: N-(4-hydroxyphenyl)formamide
SYSTEMATIC NAME: N-(4-hydroxyphenyl)methanamide
MOLECULAR FORMULA: C7H7NO2
MOLECULAR WEIGHT: 137.13598
SMILES: C1=CC(=CC=C1NC=O)O
Structure:
CAS RN: 4993-96-8
CAS Name: 1-(5-amino-2,3-dihydroindol-1-yl)ethanone
OPENEYE Name: 1-(5-aminoindolin-1-yl)ethanone
IUPAC Name: 1-(5-amino-2,3-dihydroindol-1-yl)ethanone
SYSTEMATIC NAME: 1-(5-azanyl-2,3-dihydroindol-1-yl)ethanone
MOLECULAR FORMULA: C10H12N2O
MOLECULAR WEIGHT: 176.21508
SMILES: CC(=O)N1CCC2=C1C=CC(=C2)N
Structure:
CAS RN: 3397-78-2
CAS Name: 4-methoxycinnoline
OPENEYE Name: 4-methoxycinnoline
IUPAC Name: 4-methoxycinnoline
SYSTEMATIC NAME: 4-methoxycinnoline
MOLECULAR FORMULA: C9H8N2O
MOLECULAR WEIGHT: 160.17262
SMILES: COC1=CN=NC2=CC=CC=C21
Structure:
CAS RN: 17341-78-5
CAS Name: 4-methylsulfonylcinnoline
OPENEYE Name: 4-methylsulfonylcinnoline
IUPAC Name: 4-methylsulfonylcinnoline
SYSTEMATIC NAME: 4-methylsulfonylcinnoline
MOLECULAR FORMULA: C9H8N2O2S
MOLECULAR WEIGHT: 208.23702
SMILES: CS(=O)(=O)C1=CN=NC2=CC=CC=C21
Structure:
CAS RN: 17158-87-1
CAS Name: 1-methylsulfonylisoquinoline
OPENEYE Name: 1-methylsulfonylisoquinoline
IUPAC Name: 1-methylsulfonylisoquinoline
SYSTEMATIC NAME: 1-methylsulfonylisoquinoline
MOLECULAR FORMULA: C10H9NO2S
MOLECULAR WEIGHT: 207.24896
SMILES: CS(=O)(=O)C1=NC=CC2=CC=CC=C21
Structure:
CAS RN: 22049-21-4
CAS Name: 3-(methylthio)pyridazine
OPENEYE Name: 3-methylsulfanylpyridazine
IUPAC Name: 3-methylsulfanylpyridazine
SYSTEMATIC NAME: 3-methylsulfanylpyridazine
MOLECULAR FORMULA: C5H6N2S
MOLECULAR WEIGHT: 126.17954
SMILES: CSC1=NN=CC=C1
Structure:
CAS RN: 24516-45-8
CAS Name: hexadecanoic acid [3,4-dihydroxy-5-(hydroxymethyl)-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-dihydroxy-5-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]methyl hexadecanoate
IUPAC Name: [3,4-dihydroxy-5-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl hexadecanoate
SYSTEMATIC NAME: [5-(hydroxymethyl)-5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxolan-2-yl]methyl hexadecanoate
MOLECULAR FORMULA: C28H52O12
MOLECULAR WEIGHT: 580.70528
SMILES: CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(O1)(CO)OC2C(C(C(C(O2)CO)O)O)O)O)O
Structure:
CAS RN: 2195-89-3
CAS Name: 1-(9-methyl-2-nitro-9-fluorenyl)ethanone
OPENEYE Name: 1-(9-methyl-2-nitro-fluoren-9-yl)ethanone
IUPAC Name: 1-(9-methyl-2-nitrofluoren-9-yl)ethanone
SYSTEMATIC NAME: 1-(9-methyl-2-nitro-fluoren-9-yl)ethanone
MOLECULAR FORMULA: C16H13NO3
MOLECULAR WEIGHT: 267.27932
SMILES: CC(=O)C1(C2=CC=CC=C2C3=C1C=C(C=C3)[N+](=O)[O-])C
Structure:
CAS RN: 55557-52-3
CAS Name: 3-chloro-2-pyrazinecarbonitrile
OPENEYE Name: 3-chloropyrazine-2-carbonitrile
IUPAC Name: 3-chloropyrazine-2-carbonitrile
SYSTEMATIC NAME: 3-chloranylpyrazine-2-carbonitrile
MOLECULAR FORMULA: C5H2ClN3
MOLECULAR WEIGHT: 139.54248
SMILES: C1=CN=C(C(=N1)C#N)Cl
Structure:
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