CAS RN: 71033-15-3
CAS Name: 1-[(4-methoxyphenyl)-oxomethyl]-2H-quinoline-2-carbonitrile
OPENEYE Name: 1-(4-methoxybenzoyl)-2H-quinoline-2-carbonitrile
IUPAC Name: 1-(4-methoxybenzoyl)-2H-quinoline-2-carbonitrile
SYSTEMATIC NAME: 1-(4-methoxyphenyl)carbonyl-2H-quinoline-2-carbonitrile
MOLECULAR FORMULA: C18H14N2O2
MOLECULAR WEIGHT: 290.31596
SMILES: COC1=CC=C(C=C1)C(=O)N2C(C=CC3=CC=CC=C32)C#N
Structure:
CAS RN: 21066-18-2
CAS Name: 1,3-diphenyl-2-pyrrolo[2,1-a]isoquinolinecarboxamide
OPENEYE Name: 1,3-diphenylpyrrolo[2,1-a]isoquinoline-2-carboxamide
IUPAC Name: 1,3-diphenylpyrrolo[2,1-a]isoquinoline-2-carboxamide
SYSTEMATIC NAME: 1,3-diphenylpyrrolo[2,1-a]isoquinoline-2-carboxamide
MOLECULAR FORMULA: C25H18N2O
MOLECULAR WEIGHT: 362.42322
SMILES: C1=CC=C(C=C1)C2=C3C4=CC=CC=C4C=CN3C(=C2C(=O)N)C5=CC=CC=C5
Structure:
CAS RN: 16662-86-5
CAS Name: 1-isoquinolinyl(phenyl)methanone
OPENEYE Name: 1-isoquinolyl(phenyl)methanone
IUPAC Name: isoquinolin-1-yl(phenyl)methanone
SYSTEMATIC NAME: isoquinolin-1-yl(phenyl)methanone
MOLECULAR FORMULA: C16H11NO
MOLECULAR WEIGHT: 233.26464
SMILES: C1=CC=C(C=C1)C(=O)C2=NC=CC3=CC=CC=C32
Structure:
CAS RN: 68950-07-2
CAS Name: pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
IUPAC Name: dimethyl pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
SYSTEMATIC NAME: dimethyl pyrrolo[2,1-a]isoquinoline-1,2-dicarboxylate
MOLECULAR FORMULA: C16H13NO4
MOLECULAR WEIGHT: 283.27872
SMILES: COC(=O)C1=CN2C=CC3=CC=CC=C3C2=C1C(=O)OC
Structure:
CAS RN: 6731-58-4
CAS Name: 1,5-dihydro-2,4,3$l^{4}-benzodioxaselenepin 3-oxide
OPENEYE Name: 1,5-dihydro-2,4,3$l^{4}-benzodioxaselenepine 3-oxide
IUPAC Name: 1,5-dihydro-2,4,3$l^{4}-benzodioxaselenepine 3-oxide
SYSTEMATIC NAME: 1,5-dihydro-2,4,3$l^{4}-benzodioxaselenepine 3-oxide
MOLECULAR FORMULA: C8H8O3Se
MOLECULAR WEIGHT: 231.10732
SMILES: C1C2=CC=CC=C2CO[Se](=O)O1
Structure:
CAS RN: 34368-02-0
CAS Name: 2-(bromomethyl)-2-(4-bromophenyl)-1,3-dioxolane
OPENEYE Name: 2-(bromomethyl)-2-(4-bromophenyl)-1,3-dioxolane
IUPAC Name: 2-(bromomethyl)-2-(4-bromophenyl)-1,3-dioxolane
SYSTEMATIC NAME: 2-(bromomethyl)-2-(4-bromophenyl)-1,3-dioxolane
MOLECULAR FORMULA: C10H10Br2O2
MOLECULAR WEIGHT: 321.9932
SMILES: C1COC(O1)(CBr)C2=CC=C(C=C2)Br
Structure:
CAS RN: 32812-52-5
CAS Name: 1-[3-(1-oxooctadecyl)-1-imidazolidinyl]-1-octadecanone
OPENEYE Name: 1-(3-octadecanoylimidazolidin-1-yl)octadecan-1-one
IUPAC Name: 1-(3-octadecanoylimidazolidin-1-yl)octadecan-1-one
SYSTEMATIC NAME: 1-(3-octadecanoylimidazolidin-1-yl)octadecan-1-one
MOLECULAR FORMULA: C39H76N2O2
MOLECULAR WEIGHT: 605.03294
SMILES: CCCCCCCCCCCCCCCCCC(=O)N1CCN(C1)C(=O)CCCCCCCCCCCCCCCCC
Structure:
CAS RN: 24898-95-1
CAS Name: 8-butyl-2-methyl-3H-imidazo[4,5-f]quinazolin-9-one
OPENEYE Name: 8-butyl-2-methyl-3H-imidazo[4,5-f]quinazolin-9-one
IUPAC Name: 8-butyl-2-methyl-3H-imidazo[4,5-f]quinazolin-9-one
SYSTEMATIC NAME: 8-butyl-2-methyl-3H-imidazo[4,5-f]quinazolin-9-one
MOLECULAR FORMULA: C14H16N4O
MOLECULAR WEIGHT: 256.30304
SMILES: CCCCN1C=NC2=C(C1=O)C3=C(C=C2)NC(=N3)C
Structure:
CAS RN: 21314-35-2
CAS Name: 2-(4-morpholinyl)-1H-benzo[g]quinazolin-4-one
OPENEYE Name: 2-morpholino-1H-benzo[g]quinazolin-4-one
IUPAC Name: 2-morpholin-4-yl-1H-benzo[g]quinazolin-4-one
SYSTEMATIC NAME: 2-morpholin-4-yl-1H-benzo[g]quinazolin-4-one
MOLECULAR FORMULA: C16H15N3O2
MOLECULAR WEIGHT: 281.3092
SMILES: C1COCCN1C2=NC(=O)C3=CC4=CC=CC=C4C=C3N2
Structure:
CAS RN: 66307-62-8
CAS Name: 1-(4-chlorophenoxy)-3-[4-(4-methoxyphenyl)-1-piperazinyl]-2-propanol
OPENEYE Name: 1-(4-chlorophenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
IUPAC Name: 1-(4-chlorophenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
SYSTEMATIC NAME: 1-(4-chloranylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
MOLECULAR FORMULA: C20H25ClN2O3
MOLECULAR WEIGHT: 376.8771
SMILES: COC1=CC=C(C=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)Cl)O
Structure:
CAS RN: 42606-33-7
CAS Name: 3-nitro-4-quinolinamine
OPENEYE Name: 3-nitroquinolin-4-amine
IUPAC Name: 3-nitroquinolin-4-amine
SYSTEMATIC NAME: 3-nitroquinolin-4-amine
MOLECULAR FORMULA: C9H7N3O2
MOLECULAR WEIGHT: 189.17078
SMILES: C1=CC=C2C(=C1)C(=C(C=N2)[N+](=O)[O-])N
Structure:
CAS RN: 41287-44-9
CAS Name: 1-(5-methyl-2-phenyl-4-sulfanylidene-5-oxazolyl)ethanone
OPENEYE Name: 1-(5-methyl-2-phenyl-4-thioxo-oxazol-5-yl)ethanone
IUPAC Name: 1-(5-methyl-2-phenyl-4-sulfanylidene-1,3-oxazol-5-yl)ethanone
SYSTEMATIC NAME: 1-(5-methyl-2-phenyl-4-sulfanylidene-1,3-oxazol-5-yl)ethanone
MOLECULAR FORMULA: C12H11NO2S
MOLECULAR WEIGHT: 233.28624
SMILES: CC(=O)C1(C(=S)N=C(O1)C2=CC=CC=C2)C
Structure:
CAS RN: 5392-35-8
CAS Name: 1,5-diphenyl-1,5-diazocane-3,7-diol
OPENEYE Name: 1,5-diphenyl-1,5-diazocane-3,7-diol
IUPAC Name: 1,5-diphenyl-1,5-diazocane-3,7-diol
SYSTEMATIC NAME: 1,5-diphenyl-1,5-diazocane-3,7-diol
MOLECULAR FORMULA: C18H22N2O2
MOLECULAR WEIGHT: 298.37948
SMILES: C1C(CN(CC(CN1C2=CC=CC=C2)O)C3=CC=CC=C3)O
Structure:
CAS RN: 75107-65-2
CAS Name: 3-chloro-4,7,7-trimethyl-3-nitrobicyclo[2.2.1]heptane
OPENEYE Name: 2-chloro-1,7,7-trimethyl-2-nitro-norbornane
IUPAC Name: 3-chloro-4,7,7-trimethyl-3-nitrobicyclo[2.2.1]heptane
SYSTEMATIC NAME: 3-chloranyl-4,7,7-trimethyl-3-nitro-bicyclo[2.2.1]heptane
MOLECULAR FORMULA: C10H16ClNO2
MOLECULAR WEIGHT: 217.69254
SMILES: CC1(C2CCC1(C(C2)([N+](=O)[O-])Cl)C)C
Structure:
CAS RN: 7021-11-6
CAS Name: 4-(4-hydroxyphenyl)butanoic acid
OPENEYE Name: 4-(4-hydroxyphenyl)butanoic acid
IUPAC Name: 4-(4-hydroxyphenyl)butanoic acid
SYSTEMATIC NAME: 4-(4-hydroxyphenyl)butanoic acid
MOLECULAR FORMULA: C10H12O3
MOLECULAR WEIGHT: 180.20048
SMILES: C1=CC(=CC=C1CCCC(=O)O)O
Structure:
CAS RN: 32153-46-1
CAS Name: N-hydroxy-4-phenylbutanamide
OPENEYE Name: 4-phenylbutanehydroxamic acid
IUPAC Name: N-hydroxy-4-phenylbutanamide
SYSTEMATIC NAME: N-oxidanyl-4-phenyl-butanamide
MOLECULAR FORMULA: C10H13NO2
MOLECULAR WEIGHT: 179.21572
SMILES: C1=CC=C(C=C1)CCCC(=O)NO
Structure:
CAS RN: 21112-68-5
CAS Name: 1-(2-methoxy-4,6-dimethylphenyl)ethanone
OPENEYE Name: 1-(2-methoxy-4,6-dimethyl-phenyl)ethanone
IUPAC Name: 1-(2-methoxy-4,6-dimethylphenyl)ethanone
SYSTEMATIC NAME: 1-(2-methoxy-4,6-dimethyl-phenyl)ethanone
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC1=CC(=C(C(=C1)OC)C(=O)C)C
Structure:
CAS RN: 32674-66-1
CAS Name: 3-dipropoxyphosphinooxy-2,2,4-trimethyl-3-pentenoic acid propyl ester
OPENEYE Name: propyl 3-dipropoxyphosphanyloxy-2,2,4-trimethyl-pent-3-enoate
IUPAC Name: propyl 3-dipropoxyphosphanyloxy-2,2,4-trimethylpent-3-enoate
SYSTEMATIC NAME: propyl 3-dipropoxyphosphanyloxy-2,2,4-trimethyl-pent-3-enoate
MOLECULAR FORMULA: C17H33O5P
MOLECULAR WEIGHT: 348.414681
SMILES: CCCOC(=O)C(C)(C)C(=C(C)C)OP(OCCC)OCCC
Structure:
CAS RN: 35854-51-4
CAS Name: 2,2,4-trimethyl-3-[(3-methyl-2-sulfanylidene-1,3,2$l^{5}-oxazaphospholidin-2-yl)oxy]-3-pentenoic acid methyl ester
OPENEYE Name: methyl 2,2,4-trimethyl-3-[(3-methyl-2-thioxo-1,3,2$l^{5}-oxazaphospholidin-2-yl)oxy]pent-3-enoate
IUPAC Name: methyl 2,2,4-trimethyl-3-[(3-methyl-2-sulfanylidene-1,3,2$l^{5}-oxazaphospholidin-2-yl)oxy]pent-3-enoate
SYSTEMATIC NAME: methyl 2,2,4-trimethyl-3-[(3-methyl-2-sulfanylidene-1,3,2$l^{5}-oxazaphospholidin-2-yl)oxy]pent-3-enoate
MOLECULAR FORMULA: C12H22NO4PS
MOLECULAR WEIGHT: 307.346141
SMILES: CC(=C(C(C)(C)C(=O)OC)OP1(=S)N(CCO1)C)C
Structure:
CAS RN: 36047-55-9
CAS Name: 2,2,4-trimethyl-3-[(3-methyl-2-sulfanylidene-1,3,2$l^{5}-oxazaphospholidin-2-yl)oxy]-3-pentenoic acid methyl ester
OPENEYE Name: methyl 2,2,4-trimethyl-3-[(3-methyl-2-thioxo-1,3,2$l^{5}-oxazaphospholidin-2-yl)oxy]pent-3-enoate
IUPAC Name: methyl 2,2,4-trimethyl-3-[(3-methyl-2-sulfanylidene-1,3,2$l^{5}-oxazaphospholidin-2-yl)oxy]pent-3-enoate
SYSTEMATIC NAME: methyl 2,2,4-trimethyl-3-[(3-methyl-2-sulfanylidene-1,3,2$l^{5}-oxazaphospholidin-2-yl)oxy]pent-3-enoate
MOLECULAR FORMULA: C12H22NO4PS
MOLECULAR WEIGHT: 307.346141
SMILES: CC(=C(C(C)(C)C(=O)OC)OP1(=S)N(CCO1)C)C
Structure:
CAS RN: 32687-56-2
CAS Name: 3-[bis(dimethylamino)phosphinothioyloxy]-2,2,4-trimethyl-3-pentenoic acid methyl ester
OPENEYE Name: methyl 3-[bis(dimethylamino)phosphinothioyloxy]-2,2,4-trimethyl-pent-3-enoate
IUPAC Name: methyl 3-[bis(dimethylamino)phosphinothioyloxy]-2,2,4-trimethylpent-3-enoate
SYSTEMATIC NAME: methyl 3-[bis(dimethylamino)phosphinothioyloxy]-2,2,4-trimethyl-pent-3-enoate
MOLECULAR FORMULA: C13H27N2O3PS
MOLECULAR WEIGHT: 322.403841
SMILES: CC(=C(C(C)(C)C(=O)OC)OP(=S)(N(C)C)N(C)C)C
Structure:
CAS RN: 35854-53-6
CAS Name: 3-[(1,3-dimethyl-2-sulfanylidene-1,3,2$l^{5}-diazaphospholidin-2-yl)oxy]-2,2,4-trimethyl-3-pentenoic acid methyl ester
OPENEYE Name: methyl 3-[(1,3-dimethyl-2-thioxo-1,3,2$l^{5}-diazaphospholidin-2-yl)oxy]-2,2,4-trimethyl-pent-3-enoate
IUPAC Name: methyl 3-[(1,3-dimethyl-2-sulfanylidene-1,3,2$l^{5}-diazaphospholidin-2-yl)oxy]-2,2,4-trimethylpent-3-enoate
SYSTEMATIC NAME: methyl 3-[(1,3-dimethyl-2-sulfanylidene-1,3,2$l^{5}-diazaphospholidin-2-yl)oxy]-2,2,4-trimethyl-pent-3-enoate
MOLECULAR FORMULA: C13H25N2O3PS
MOLECULAR WEIGHT: 320.387961
SMILES: CC(=C(C(C)(C)C(=O)OC)OP1(=S)N(CCN1C)C)C
Structure:
CAS RN: 14261-50-8
CAS Name: 3-diethoxyphosphinooxy-2,2,4-trimethyl-3-pentenoic acid ethyl ester
OPENEYE Name: ethyl 3-diethoxyphosphanyloxy-2,2,4-trimethyl-pent-3-enoate
IUPAC Name: ethyl 3-diethoxyphosphanyloxy-2,2,4-trimethylpent-3-enoate
SYSTEMATIC NAME: ethyl 3-diethoxyphosphanyloxy-2,2,4-trimethyl-pent-3-enoate
MOLECULAR FORMULA: C14H27O5P
MOLECULAR WEIGHT: 306.334941
SMILES: CCOC(=O)C(C)(C)C(=C(C)C)OP(OCC)OCC
Structure:
CAS RN: 1022-45-3
CAS Name: 2-phenyl-1H-quinazolin-4-one
OPENEYE Name: 2-phenyl-1H-quinazolin-4-one
IUPAC Name: 2-phenyl-1H-quinazolin-4-one
SYSTEMATIC NAME: 2-phenyl-1H-quinazolin-4-one
MOLECULAR FORMULA: C14H10N2O
MOLECULAR WEIGHT: 222.242
SMILES: C1=CC=C(C=C1)C2=NC(=O)C3=CC=CC=C3N2
Structure:
CAS RN: 20640-71-5
CAS Name: (1-methyl-3-phenyl-3-pyrrolidinyl)methanol
OPENEYE Name: (1-methyl-3-phenyl-pyrrolidin-3-yl)methanol
IUPAC Name: (1-methyl-3-phenylpyrrolidin-3-yl)methanol
SYSTEMATIC NAME: (1-methyl-3-phenyl-pyrrolidin-3-yl)methanol
MOLECULAR FORMULA: C12H17NO
MOLECULAR WEIGHT: 191.26948
SMILES: CN1CCC(C1)(CO)C2=CC=CC=C2
Structure:
CAS RN: 34067-83-9
CAS Name: N-phenyl-2-pyrazinecarboxamide
OPENEYE Name: N-phenylpyrazine-2-carboxamide
IUPAC Name: N-phenylpyrazine-2-carboxamide
SYSTEMATIC NAME: N-phenylpyrazine-2-carboxamide
MOLECULAR FORMULA: C11H9N3O
MOLECULAR WEIGHT: 199.20866
SMILES: C1=CC=C(C=C1)NC(=O)C2=NC=CN=C2
Structure:
CAS RN: 13212-57-2
CAS Name: 2-(2-nitrophenoxy)propanoic acid
OPENEYE Name: 2-(2-nitrophenoxy)propanoic acid
IUPAC Name: 2-(2-nitrophenoxy)propanoic acid
SYSTEMATIC NAME: 2-(2-nitrophenoxy)propanoic acid
MOLECULAR FORMULA: C9H9NO5
MOLECULAR WEIGHT: 211.17146
SMILES: CC(C(=O)O)OC1=CC=CC=C1[N+](=O)[O-]
Structure:
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