CAS RN: 35632-97-4
CAS Name: N,N'-dibutyl-2-butenediamide
OPENEYE Name: N,N'-dibutylbut-2-enediamide
IUPAC Name: N,N'-dibutylbut-2-enediamide
SYSTEMATIC NAME: N,N'-dibutylbut-2-enediamide
MOLECULAR FORMULA: C12H22N2O2
MOLECULAR WEIGHT: 226.31528
SMILES: CCCCNC(=O)C=CC(=O)NCCCC
Structure:
CAS RN: 5240-49-3
CAS Name: N,N'-dipropyl-2-butenediamide
OPENEYE Name: N,N'-dipropylbut-2-enediamide
IUPAC Name: N,N'-dipropylbut-2-enediamide
SYSTEMATIC NAME: N,N'-dipropylbut-2-enediamide
MOLECULAR FORMULA: C10H18N2O2
MOLECULAR WEIGHT: 198.26212
SMILES: CCCNC(=O)C=CC(=O)NCCC
Structure:
CAS RN: 76622-27-0
CAS Name: 2-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-benzopyran-4-one
OPENEYE Name: 2-(3,4-dimethoxyphenyl)-6,7-dimethoxy-chromen-4-one
IUPAC Name: 2-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)-6,7-dimethoxy-chromen-4-one
MOLECULAR FORMULA: C19H18O6
MOLECULAR WEIGHT: 342.34262
SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=CC(=C(C=C3O2)OC)OC)OC
Structure:
CAS RN: 13723-01-8
CAS Name: 2-amino-3-[[bis(2-chloropropyl)amino]-oxomethoxy]propanoic acid
OPENEYE Name: 2-amino-3-[bis(2-chloropropyl)carbamoyloxy]propanoic acid
IUPAC Name: 2-amino-3-[bis(2-chloropropyl)carbamoyloxy]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[bis(2-chloranylpropyl)carbamoyloxy]propanoic acid
MOLECULAR FORMULA: C10H18Cl2N2O4
MOLECULAR WEIGHT: 301.16692
SMILES: CC(CN(CC(C)Cl)C(=O)OCC(C(=O)O)N)Cl
Structure:
CAS RN: 38378-03-9
CAS Name: 2-[methyl(nitroso)amino]propanoic acid
OPENEYE Name: 2-[methyl(nitroso)amino]propanoic acid
IUPAC Name: 2-[methyl(nitroso)amino]propanoic acid
SYSTEMATIC NAME: 2-[methyl(nitroso)amino]propanoic acid
MOLECULAR FORMULA: C4H8N2O3
MOLECULAR WEIGHT: 132.11792
SMILES: CC(C(=O)O)N(C)N=O
Structure:
CAS RN: 63917-15-7
CAS Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]-2-hydroxyacetic acid; N-cyclohexylcyclohexanamine
OPENEYE Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]-2-hydroxy-acetic acid; N-cyclohexylcyclohexanamine
IUPAC Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]-2-hydroxyacetic acid; N-cyclohexylcyclohexanamine
SYSTEMATIC NAME: 2-[4-[bis(2-chloroethyl)amino]phenyl]-2-oxidanyl-ethanoic acid; N-cyclohexylcyclohexanamine
MOLECULAR FORMULA: C24H38Cl2N2O3
MOLECULAR WEIGHT: 473.47612
SMILES: C1CCC(CC1)NC2CCCCC2.C1=CC(=CC=C1C(C(=O)O)O)N(CCCl)CCCl
Structure:
CAS RN: 14344-49-1
CAS Name: 2-amino-3-[2-[(2-amino-2-carboxyethyl)thio]ethylthio]propanoic acid
OPENEYE Name: 2-amino-3-[2-(2-amino-2-carboxy-ethyl)sulfanylethylsulfanyl]propanoic acid
IUPAC Name: 2-amino-3-[2-(2-amino-2-carboxyethyl)sulfanylethylsulfanyl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanylethylsulfanyl]propanoic acid
MOLECULAR FORMULA: C8H16N2O4S2
MOLECULAR WEIGHT: 268.35364
SMILES: C(CSCC(C(=O)O)N)SCC(C(=O)O)N
Structure:
CAS RN: 14058-38-9
CAS Name: 6-(11-hydroxydodecyl)-2-(hydroxymethyl)-3-piperidinol
OPENEYE Name: 6-(11-hydroxydodecyl)-2-(hydroxymethyl)piperidin-3-ol
IUPAC Name: 6-(11-hydroxydodecyl)-2-(hydroxymethyl)piperidin-3-ol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-(11-oxidanyldodecyl)piperidin-3-ol
MOLECULAR FORMULA: C18H37NO3
MOLECULAR WEIGHT: 315.49128
SMILES: CC(CCCCCCCCCCC1CCC(C(N1)CO)O)O
Structure:
CAS RN: 36540-51-9
CAS Name: 4-(diphenylmethyl)-3-thiophenecarboxylic acid
OPENEYE Name: 4-benzhydrylthiophene-3-carboxylic acid
IUPAC Name: 4-benzhydrylthiophene-3-carboxylic acid
SYSTEMATIC NAME: 4-(diphenylmethyl)thiophene-3-carboxylic acid
MOLECULAR FORMULA: C18H14O2S
MOLECULAR WEIGHT: 294.36756
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CSC=C3C(=O)O
Structure:
CAS RN: 42244-99-5
CAS Name: 2-decyl-1H-benzo[f]indole-4,9-dione
OPENEYE Name: 2-decyl-1H-benzo[f]indole-4,9-dione
IUPAC Name: 2-decyl-1H-benzo[f]indole-4,9-dione
SYSTEMATIC NAME: 2-decyl-1H-benzo[f]indole-4,9-dione
MOLECULAR FORMULA: C22H27NO2
MOLECULAR WEIGHT: 337.45528
SMILES: CCCCCCCCCCC1=CC2=C(N1)C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 38199-52-9
CAS Name: 8-(5-acetyl-2-furanyl)octanoic acid
OPENEYE Name: 8-(5-acetyl-2-furyl)octanoic acid
IUPAC Name: 8-(5-acetylfuran-2-yl)octanoic acid
SYSTEMATIC NAME: 8-(5-ethanoylfuran-2-yl)octanoic acid
MOLECULAR FORMULA: C14H20O4
MOLECULAR WEIGHT: 252.3062
SMILES: CC(=O)C1=CC=C(O1)CCCCCCCC(=O)O
Structure:
CAS RN: 802-20-0
CAS Name: 4-(9-acridinylmethylideneamino)-N,N-dimethylaniline
OPENEYE Name: 4-(acridin-9-ylmethyleneamino)-N,N-dimethyl-aniline
IUPAC Name: 4-(acridin-9-ylmethylideneamino)-N,N-dimethylaniline
SYSTEMATIC NAME: 4-(acridin-9-ylmethylideneamino)-N,N-dimethyl-aniline
MOLECULAR FORMULA: C22H19N3
MOLECULAR WEIGHT: 325.40636
SMILES: CN(C)C1=CC=C(C=C1)N=CC2=C3C=CC=CC3=NC4=CC=CC=C42
Structure:
CAS RN: 35426-11-0
CAS Name: 9-acridinylmethanol
OPENEYE Name: acridin-9-ylmethanol
IUPAC Name: acridin-9-ylmethanol
SYSTEMATIC NAME: acridin-9-ylmethanol
MOLECULAR FORMULA: C14H11NO
MOLECULAR WEIGHT: 209.24324
SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CO
Structure:
CAS RN: 40736-99-0
CAS Name: 2-(dibutylamino)-1-(6-phenanthridinyl)ethanol
OPENEYE Name: 2-(dibutylamino)-1-phenanthridin-6-yl-ethanol
IUPAC Name: 2-(dibutylamino)-1-phenanthridin-6-ylethanol
SYSTEMATIC NAME: 2-(dibutylamino)-1-phenanthridin-6-yl-ethanol
MOLECULAR FORMULA: C23H30N2O
MOLECULAR WEIGHT: 350.4971
SMILES: CCCCN(CCCC)CC(C1=NC2=CC=CC=C2C3=CC=CC=C31)O
Structure:
CAS RN: 2961-76-4
CAS Name: 2-(9-anthracenyl)acetonitrile
OPENEYE Name: 2-(9-anthryl)acetonitrile
IUPAC Name: 2-anthracen-9-ylacetonitrile
SYSTEMATIC NAME: 2-anthracen-9-ylethanenitrile
MOLECULAR FORMULA: C16H11N
MOLECULAR WEIGHT: 217.26524
SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CC#N
Structure:
CAS RN: 65698-59-1
CAS Name: 10-methyl-9-phenanthrenecarboxylic acid
OPENEYE Name: 10-methylphenanthrene-9-carboxylic acid
IUPAC Name: 10-methylphenanthrene-9-carboxylic acid
SYSTEMATIC NAME: 10-methylphenanthrene-9-carboxylic acid
MOLECULAR FORMULA: C16H12O2
MOLECULAR WEIGHT: 236.26528
SMILES: CC1=C(C2=CC=CC=C2C3=CC=CC=C13)C(=O)O
Structure:
CAS RN: 23062-33-1
CAS Name: [4-[4-(hydroxymethyl)-3-thiophenyl]-3-thiophenyl]methanol
OPENEYE Name: [4-[4-(hydroxymethyl)-3-thienyl]-3-thienyl]methanol
IUPAC Name: [4-[4-(hydroxymethyl)thiophen-3-yl]thiophen-3-yl]methanol
SYSTEMATIC NAME: [4-[4-(hydroxymethyl)thiophen-3-yl]thiophen-3-yl]methanol
MOLECULAR FORMULA: C10H10O2S2
MOLECULAR WEIGHT: 226.3152
SMILES: C1=C(C(=CS1)C2=CSC=C2CO)CO
Structure:
CAS RN: 23062-32-0
CAS Name: 4-(4-formyl-3-thiophenyl)-3-thiophenecarboxaldehyde
OPENEYE Name: 4-(4-formyl-3-thienyl)thiophene-3-carbaldehyde
IUPAC Name: 4-(4-formylthiophen-3-yl)thiophene-3-carbaldehyde
SYSTEMATIC NAME: 4-(4-methanoylthiophen-3-yl)thiophene-3-carbaldehyde
MOLECULAR FORMULA: C10H6O2S2
MOLECULAR WEIGHT: 222.28344
SMILES: C1=C(C(=CS1)C2=CSC=C2C=O)C=O
Structure:
CAS RN: 1878-23-5
CAS Name: 4-oxo-4-(3-thiophenyl)butanoic acid
OPENEYE Name: 4-oxo-4-(3-thienyl)butanoic acid
IUPAC Name: 4-oxo-4-thiophen-3-ylbutanoic acid
SYSTEMATIC NAME: 4-oxidanylidene-4-thiophen-3-yl-butanoic acid
MOLECULAR FORMULA: C8H8O3S
MOLECULAR WEIGHT: 184.21232
SMILES: C1=CSC=C1C(=O)CCC(=O)O
Structure:
CAS RN: 13781-68-5
CAS Name: N-phenylcarbamic acid 2-(3-thiophenyl)ethyl ester
OPENEYE Name: 2-(3-thienyl)ethyl N-phenylcarbamate
IUPAC Name: 2-thiophen-3-ylethyl N-phenylcarbamate
SYSTEMATIC NAME: 2-thiophen-3-ylethyl N-phenylcarbamate
MOLECULAR FORMULA: C13H13NO2S
MOLECULAR WEIGHT: 247.31282
SMILES: C1=CC=C(C=C1)NC(=O)OCCC2=CSC=C2
Structure:
CAS RN: 30409-52-0
CAS Name: 4-(9-anthracenyl)-3-thiophenecarboxylic acid
OPENEYE Name: 4-(9-anthryl)thiophene-3-carboxylic acid
IUPAC Name: 4-anthracen-9-ylthiophene-3-carboxylic acid
SYSTEMATIC NAME: 4-anthracen-9-ylthiophene-3-carboxylic acid
MOLECULAR FORMULA: C19H12O2S
MOLECULAR WEIGHT: 304.36238
SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C4=CSC=C4C(=O)O
Structure:
CAS RN: 30409-51-9
CAS Name: 3-(9-anthracenyl)-4-bromothiophene
OPENEYE Name: 3-(9-anthryl)-4-bromo-thiophene
IUPAC Name: 3-anthracen-9-yl-4-bromothiophene
SYSTEMATIC NAME: 3-anthracen-9-yl-4-bromanyl-thiophene
MOLECULAR FORMULA: C18H11BrS
MOLECULAR WEIGHT: 339.24894
SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C4=CSC=C4Br
Structure:
CAS RN: 5205-05-0
CAS Name: 3-(9-anthracenyl)-4-bromothiophene
OPENEYE Name: 3-(9-anthryl)-4-bromo-thiophene
IUPAC Name: 3-anthracen-9-yl-4-bromothiophene
SYSTEMATIC NAME: 3-anthracen-9-yl-4-bromanyl-thiophene
MOLECULAR FORMULA: C18H11BrS
MOLECULAR WEIGHT: 339.24894
SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C4=CSC=C4Br
Structure:
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