CAS RN: 5456-36-0
CAS Name: N,N,3,3-tetramethyl-1-heptanamine
OPENEYE Name: N,N,3,3-tetramethylheptan-1-amine
IUPAC Name: N,N,3,3-tetramethylheptan-1-amine
SYSTEMATIC NAME: N,N,3,3-tetramethylheptan-1-amine
MOLECULAR FORMULA: C11H25N
MOLECULAR WEIGHT: 171.3229
SMILES: CCCCC(C)(C)CCN(C)C
Structure:
CAS RN: 4875-51-8
CAS Name: 4-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
OPENEYE Name: 4-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
IUPAC Name: 4-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SYSTEMATIC NAME: 4-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
MOLECULAR FORMULA: C13H13N3O2
MOLECULAR WEIGHT: 243.26122
SMILES: C1CNC(C2=C1NC=N2)C3=CC4=C(C=C3)OCO4
Structure:
CAS RN: 1673-44-5
CAS Name: 5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine
OPENEYE Name: 5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine
IUPAC Name: 5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SYSTEMATIC NAME: 5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine
MOLECULAR FORMULA: C9H9N3O2
MOLECULAR WEIGHT: 191.18666
SMILES: COC1=CC=CC(=C1)C2=NN=C(O2)N
Structure:
CAS RN: 20275-19-8
CAS Name: 5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine
OPENEYE Name: 5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine
IUPAC Name: 5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SYSTEMATIC NAME: 5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine
MOLECULAR FORMULA: C9H9N3O2
MOLECULAR WEIGHT: 191.18666
SMILES: COC1=CC=CC(=C1)C2=NN=C(O2)N
Structure:
CAS RN: 51125-67-8
CAS Name: 1',3'-dichlorospiro[fluorene-9,5'-imidazolidine]-2',4'-dione
OPENEYE Name: 1',3'-dichlorospiro[fluorene-9,5'-imidazolidine]-2',4'-dione
IUPAC Name: 1',3'-dichlorospiro[fluorene-9,5'-imidazolidine]-2',4'-dione
SYSTEMATIC NAME: 1',3'-bis(chloranyl)spiro[fluorene-9,5'-imidazolidine]-2',4'-dione
MOLECULAR FORMULA: C15H8Cl2N2O2
MOLECULAR WEIGHT: 319.14222
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)N(C(=O)N4Cl)Cl
Structure:
CAS RN: 14910-26-0
CAS Name: 1',3'-dichlorospiro[fluorene-9,5'-imidazolidine]-2',4'-dione
OPENEYE Name: 1',3'-dichlorospiro[fluorene-9,5'-imidazolidine]-2',4'-dione
IUPAC Name: 1',3'-dichlorospiro[fluorene-9,5'-imidazolidine]-2',4'-dione
SYSTEMATIC NAME: 1',3'-bis(chloranyl)spiro[fluorene-9,5'-imidazolidine]-2',4'-dione
MOLECULAR FORMULA: C15H8Cl2N2O2
MOLECULAR WEIGHT: 319.14222
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)N(C(=O)N4Cl)Cl
Structure:
CAS RN: 21203-88-3
CAS Name: 1,3-dibromo-7-phenyldiazenyl-9H-fluoren-2-amine
OPENEYE Name: 1,3-dibromo-7-phenylazo-9H-fluoren-2-amine
IUPAC Name: 1,3-dibromo-7-phenyldiazenyl-9H-fluoren-2-amine
SYSTEMATIC NAME: 1,3-bis(bromanyl)-7-phenyldiazenyl-9H-fluoren-2-amine
MOLECULAR FORMULA: C19H13Br2N3
MOLECULAR WEIGHT: 443.13462
SMILES: C1C2=C(C=CC(=C2)N=NC3=CC=CC=C3)C4=CC(=C(C(=C41)Br)N)Br
Structure:
CAS RN: 21209-14-3
CAS Name: 1,3-dibromo-9H-fluorene-2,7-diamine
OPENEYE Name: 1,3-dibromo-9H-fluorene-2,7-diamine
IUPAC Name: 1,3-dibromo-9H-fluorene-2,7-diamine
SYSTEMATIC NAME: 1,3-bis(bromanyl)-9H-fluorene-2,7-diamine
MOLECULAR FORMULA: C13H10Br2N2
MOLECULAR WEIGHT: 354.0399
SMILES: C1C2=C(C=CC(=C2)N)C3=CC(=C(C(=C31)Br)N)Br
Structure:
CAS RN: 21224-58-8
CAS Name: acetic acid (9-fluorenylideneamino) ester
OPENEYE Name: (fluoren-9-ylideneamino) acetate
IUPAC Name: (fluoren-9-ylideneamino) acetate
SYSTEMATIC NAME: (fluoren-9-ylideneamino) ethanoate
MOLECULAR FORMULA: C15H11NO2
MOLECULAR WEIGHT: 237.25334
SMILES: CC(=O)ON=C1C2=CC=CC=C2C3=CC=CC=C31
Structure:
CAS RN: 5418-58-6
CAS Name: 1-(4-chlorophenyl)-5-methyl-4,6-dihydro-3H-pyrido[4,3-b]carbazole
OPENEYE Name: 1-(4-chlorophenyl)-5-methyl-4,6-dihydro-3H-pyrido[4,3-b]carbazole
IUPAC Name: 1-(4-chlorophenyl)-5-methyl-4,6-dihydro-3H-pyrido[4,3-b]carbazole
SYSTEMATIC NAME: 1-(4-chlorophenyl)-5-methyl-4,6-dihydro-3H-pyrido[4,3-b]carbazole
MOLECULAR FORMULA: C22H17ClN2
MOLECULAR WEIGHT: 344.83678
SMILES: CC1=C2C(=CC3=C1CCN=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5N2
Structure:
CAS RN: 10173-73-6
CAS Name: acetic acid [(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-phenyl-3-pyrazolyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-phenylpyrazol-3-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-phenylpyrazol-3-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-(2-phenylpyrazol-3-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C30H38N2O2
MOLECULAR WEIGHT: 458.63492
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4C5=CC=NN5C6=CC=CC=C6)C)C
Structure:
CAS RN: 70460-26-3
CAS Name: 5,6,7,8-tetramethoxy-2-(4-propan-2-yloxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 2-(4-isopropoxyphenyl)-5,6,7,8-tetramethoxy-chromen-4-one
IUPAC Name: 5,6,7,8-tetramethoxy-2-(4-propan-2-yloxyphenyl)chromen-4-one
SYSTEMATIC NAME: 5,6,7,8-tetramethoxy-2-(4-propan-2-yloxyphenyl)chromen-4-one
MOLECULAR FORMULA: C22H24O7
MOLECULAR WEIGHT: 400.42176
SMILES: CC(C)OC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC
Structure:
CAS RN: 70460-31-0
CAS Name: 5,6,7,8-tetramethoxy-2-(2,4,5-trimethoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 5,6,7,8-tetramethoxy-2-(2,4,5-trimethoxyphenyl)chromen-4-one
IUPAC Name: 5,6,7,8-tetramethoxy-2-(2,4,5-trimethoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 5,6,7,8-tetramethoxy-2-(2,4,5-trimethoxyphenyl)chromen-4-one
MOLECULAR FORMULA: C22H24O9
MOLECULAR WEIGHT: 432.42056
SMILES: COC1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC)OC
Structure:
CAS RN: 5430-60-4
CAS Name: (3S,8S,9S,10R,13R,14S,16S)-3-ethoxy-10,13,16-trimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-ol
OPENEYE Name: (3S,8S,9S,10R,13R,14S,16S)-3-ethoxy-10,13,16-trimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-ol
IUPAC Name: (3S,8S,9S,10R,13R,14S,16S)-3-ethoxy-10,13,16-trimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-ol
SYSTEMATIC NAME: (3S,8S,9S,10R,13R,14S,16S)-3-ethoxy-10,13,16-trimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-ol
MOLECULAR FORMULA: C22H36O2
MOLECULAR WEIGHT: 332.52004
SMILES: CCO[C@H]1CC[C@@]2([C@H]3CC[C@@]4(C[C@@](C[C@H]4[C@@H]3CC=C2C1)(C)O)C)C
Structure:
CAS RN: 2799-07-7
CAS Name: 2-amino-3-[(triphenylmethyl)thio]propanoic acid
OPENEYE Name: 2-amino-3-tritylsulfanyl-propanoic acid
IUPAC Name: 2-amino-3-tritylsulfanylpropanoic acid
SYSTEMATIC NAME: 2-azanyl-3-(triphenylmethyl)sulfanyl-propanoic acid
MOLECULAR FORMULA: C22H21NO2S
MOLECULAR WEIGHT: 363.47264
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N
Structure:
CAS RN: 25840-82-8
CAS Name: 2-amino-3-[(triphenylmethyl)thio]propanoic acid
OPENEYE Name: 2-amino-3-tritylsulfanyl-propanoic acid
IUPAC Name: 2-amino-3-tritylsulfanylpropanoic acid
SYSTEMATIC NAME: 2-azanyl-3-(triphenylmethyl)sulfanyl-propanoic acid
MOLECULAR FORMULA: C22H21NO2S
MOLECULAR WEIGHT: 363.47264
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N
Structure:
CAS RN: 658-79-7
CAS Name: 2-[(2-amino-1-oxoethyl)amino]-3-(4-hydroxyphenyl)propanoic acid
OPENEYE Name: 2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoic acid
IUPAC Name: 2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoic acid
SYSTEMATIC NAME: 2-(2-azanylethanoylamino)-3-(4-hydroxyphenyl)propanoic acid
MOLECULAR FORMULA: C11H14N2O4
MOLECULAR WEIGHT: 238.23986
SMILES: C1=CC(=CC=C1CC(C(=O)O)NC(=O)CN)O
Structure:
CAS RN: 20767-00-4
CAS Name: 2-acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid
OPENEYE Name: 2-acetamido-3-(4-hydroxy-3,5-dinitro-phenyl)propanoic acid
IUPAC Name: 2-acetamido-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid
SYSTEMATIC NAME: 2-acetamido-3-(3,5-dinitro-4-oxidanyl-phenyl)propanoic acid
MOLECULAR FORMULA: C11H11N3O8
MOLECULAR WEIGHT: 313.22034
SMILES: CC(=O)NC(CC1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O
Structure:
CAS RN: 3715-41-1
CAS Name: 2-[(2-amino-1-oxoethyl)amino]-3-(4-hydroxyphenyl)propanamide
OPENEYE Name: 2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanamide
IUPAC Name: 2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanamide
SYSTEMATIC NAME: 2-(2-azanylethanoylamino)-3-(4-hydroxyphenyl)propanamide
MOLECULAR FORMULA: C11H15N3O3
MOLECULAR WEIGHT: 237.2551
SMILES: C1=CC(=CC=C1CC(C(=O)N)NC(=O)CN)O
Structure:
CAS RN: 922-55-4
CAS Name: (2R)-2-amino-3-[(2-amino-2-carboxyethyl)thio]propanoic acid
OPENEYE Name: (2R)-2-amino-3-(2-amino-2-carboxy-ethyl)sulfanyl-propanoic acid
IUPAC Name: (2R)-2-amino-3-(2-amino-2-carboxyethyl)sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-propanoic acid
MOLECULAR FORMULA: C6H12N2O4S
MOLECULAR WEIGHT: 208.23548
SMILES: C([C@@H](C(=O)O)N)SCC(C(=O)O)N
Structure:
CAS RN: 1676-26-2
CAS Name: diethoxyphosphoryl-(4-methoxyphenyl)methanone
OPENEYE Name: diethoxyphosphoryl-(4-methoxyphenyl)methanone
IUPAC Name: diethoxyphosphoryl-(4-methoxyphenyl)methanone
SYSTEMATIC NAME: diethoxyphosphoryl-(4-methoxyphenyl)methanone
MOLECULAR FORMULA: C12H17O5P
MOLECULAR WEIGHT: 272.234141
SMILES: CCOP(=O)(C(=O)C1=CC=C(C=C1)OC)OCC
Structure:
CAS RN: 5567-78-2
CAS Name: benzoic acid [5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-3-methylsulfonyloxy-2-oxolanyl]methyl ester
OPENEYE Name: [5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methylsulfonyloxy-tetrahydrofuran-2-yl]methyl benzoate
IUPAC Name: [5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methylsulfonyloxyoxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-methylsulfonyloxy-4-oxidanyl-oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C17H18N2O9S
MOLECULAR WEIGHT: 426.39782
SMILES: CS(=O)(=O)OC1C(OC(C1O)N2C=CC(=O)NC2=O)COC(=O)C3=CC=CC=C3
Structure:
CAS RN: 16089-43-3
CAS Name: 1-(diphenylmethyl)-4-methoxybenzene
OPENEYE Name: 1-benzhydryl-4-methoxy-benzene
IUPAC Name: 1-benzhydryl-4-methoxybenzene
SYSTEMATIC NAME: 1-(diphenylmethyl)-4-methoxy-benzene
MOLECULAR FORMULA: C20H18O
MOLECULAR WEIGHT: 274.35632
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 23569-77-9
CAS Name: 1,3-bis(4-methoxyphenyl)-1-propanone
OPENEYE Name: 1,3-bis(4-methoxyphenyl)propan-1-one
IUPAC Name: 1,3-bis(4-methoxyphenyl)propan-1-one
SYSTEMATIC NAME: 1,3-bis(4-methoxyphenyl)propan-1-one
MOLECULAR FORMULA: C17H18O3
MOLECULAR WEIGHT: 270.32302
SMILES: COC1=CC=C(C=C1)CCC(=O)C2=CC=C(C=C2)OC
Structure:
CAS RN: 5449-74-1
CAS Name: 1-(4-methylphenyl)-3-phenyl-1-propanone
OPENEYE Name: 3-phenyl-1-(p-tolyl)propan-1-one
IUPAC Name: 1-(4-methylphenyl)-3-phenylpropan-1-one
SYSTEMATIC NAME: 1-(4-methylphenyl)-3-phenyl-propan-1-one
MOLECULAR FORMULA: C16H16O
MOLECULAR WEIGHT: 224.29764
SMILES: CC1=CC=C(C=C1)C(=O)CCC2=CC=CC=C2
Structure:
CAS RN: 40915-84-2
CAS Name: 1-methoxy-4-(phenylmethoxymethyl)benzene
OPENEYE Name: 1-(benzyloxymethyl)-4-methoxy-benzene
IUPAC Name: 1-methoxy-4-(phenylmethoxymethyl)benzene
SYSTEMATIC NAME: 1-methoxy-4-(phenylmethoxymethyl)benzene
MOLECULAR FORMULA: C15H16O2
MOLECULAR WEIGHT: 228.28634
SMILES: COC1=CC=C(C=C1)COCC2=CC=CC=C2
Structure:
CAS RN: 11106-47-1
CAS Name: N-(4-methylphenyl)-2,4-dinitroaniline
OPENEYE Name: 2,4-dinitro-N-(p-tolyl)aniline
IUPAC Name: N-(4-methylphenyl)-2,4-dinitroaniline
SYSTEMATIC NAME: N-(4-methylphenyl)-2,4-dinitro-aniline
MOLECULAR FORMULA: C13H11N3O4
MOLECULAR WEIGHT: 273.24414
SMILES: CC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 833-47-6
CAS Name: 5-(3-nitrophenyl)-1,3,4-thiadiazol-2-amine
OPENEYE Name: 5-(3-nitrophenyl)-1,3,4-thiadiazol-2-amine
IUPAC Name: 5-(3-nitrophenyl)-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: 5-(3-nitrophenyl)-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C8H6N4O2S
MOLECULAR WEIGHT: 222.22384
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=C(S2)N
Structure:
CAS RN: 46329-28-6
CAS Name: 2H-triazole-4,5-dicarboxylic acid
OPENEYE Name: 2H-triazole-4,5-dicarboxylic acid
IUPAC Name: 2H-triazole-4,5-dicarboxylic acid
SYSTEMATIC NAME: 2H-1,2,3-triazole-4,5-dicarboxylic acid
MOLECULAR FORMULA: C4H3N3O4
MOLECULAR WEIGHT: 157.08432
SMILES: C1(=NNN=C1C(=O)O)C(=O)O
Structure:
CAS RN: 5453-70-3
CAS Name: (5,6-dimethyl-1-benzotriazolyl)-phenylmethanone
OPENEYE Name: (5,6-dimethylbenzotriazol-1-yl)-phenyl-methanone
IUPAC Name: (5,6-dimethylbenzotriazol-1-yl)-phenylmethanone
SYSTEMATIC NAME: (5,6-dimethylbenzotriazol-1-yl)-phenyl-methanone
MOLECULAR FORMULA: C15H13N3O
MOLECULAR WEIGHT: 251.28322
SMILES: CC1=CC2=C(C=C1C)N(N=N2)C(=O)C3=CC=CC=C3
Structure:
CAS RN: 16263-51-7
CAS Name: 1-(2-chloroethyl)-3-(3-pyridinyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(3-pyridyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-pyridin-3-ylurea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-pyridin-3-yl-urea
MOLECULAR FORMULA: C8H10ClN3O
MOLECULAR WEIGHT: 199.6375
SMILES: C1=CC(=CN=C1)NC(=O)NCCCl
Structure:
No comments:
Post a Comment