CAS RN: 91880-51-2
CAS Name: 4-[[dimethylamino(oxo)methyl]amino]benzoic acid
OPENEYE Name: 4-(dimethylcarbamoylamino)benzoic acid
IUPAC Name: 4-(dimethylcarbamoylamino)benzoic acid
SYSTEMATIC NAME: 4-(dimethylcarbamoylamino)benzoic acid
MOLECULAR FORMULA: C10H12N2O3
MOLECULAR WEIGHT: 208.21388
SMILES: CN(C)C(=O)NC1=CC=C(C=C1)C(=O)O
Structure:
CAS RN: 3023-72-1
CAS Name: N-(3-chlorophenyl)-1-piperidinecarboxamide
OPENEYE Name: N-(3-chlorophenyl)piperidine-1-carboxamide
IUPAC Name: N-(3-chlorophenyl)piperidine-1-carboxamide
SYSTEMATIC NAME: N-(3-chlorophenyl)piperidine-1-carboxamide
MOLECULAR FORMULA: C12H15ClN2O
MOLECULAR WEIGHT: 238.7133
SMILES: C1CCN(CC1)C(=O)NC2=CC(=CC=C2)Cl
Structure:
CAS RN: 53961-71-0
CAS Name: 3-[4-[4-[[dimethylamino(oxo)methyl]amino]phenyl]sulfonylphenyl]-1,1-dimethylurea
OPENEYE Name: 3-[4-[4-(dimethylcarbamoylamino)phenyl]sulfonylphenyl]-1,1-dimethyl-urea
IUPAC Name: 3-[4-[4-(dimethylcarbamoylamino)phenyl]sulfonylphenyl]-1,1-dimethylurea
SYSTEMATIC NAME: 3-[4-[4-(dimethylcarbamoylamino)phenyl]sulfonylphenyl]-1,1-dimethyl-urea
MOLECULAR FORMULA: C18H22N4O4S
MOLECULAR WEIGHT: 390.45668
SMILES: CN(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)N(C)C
Structure:
CAS RN: 71205-23-7
CAS Name: 5-iminononane-1,4,9-tricarbonitrile
OPENEYE Name: 5-iminononane-1,4,9-tricarbonitrile
IUPAC Name: 5-iminononane-1,4,9-tricarbonitrile
SYSTEMATIC NAME: 5-azanylidenenonane-1,4,9-tricarbonitrile
MOLECULAR FORMULA: C12H16N4
MOLECULAR WEIGHT: 216.28224
SMILES: C(CCC(=N)C(CCCC#N)C#N)CC#N
Structure:
CAS RN: 6840-03-5
CAS Name: N-[fluoro(phenyl)phosphoryl]-N-methylmethanamine
OPENEYE Name: N-[fluoro(phenyl)phosphoryl]-N-methyl-methanamine
IUPAC Name: N-[fluoro(phenyl)phosphoryl]-N-methylmethanamine
SYSTEMATIC NAME: N-[fluoranyl(phenyl)phosphoryl]-N-methyl-methanamine
MOLECULAR FORMULA: C8H11FNOP
MOLECULAR WEIGHT: 187.151204
SMILES: CN(C)P(=O)(C1=CC=CC=C1)F
Structure:
CAS RN: 51825-94-6
CAS Name: [ethoxy-[2-(methylthio)ethoxy]phosphoryl]benzene
OPENEYE Name: [ethoxy(2-methylsulfanylethoxy)phosphoryl]benzene
IUPAC Name: [ethoxy(2-methylsulfanylethoxy)phosphoryl]benzene
SYSTEMATIC NAME: [ethoxy(2-methylsulfanylethoxy)phosphoryl]benzene
MOLECULAR FORMULA: C11H17O3PS
MOLECULAR WEIGHT: 260.289641
SMILES: CCOP(=O)(C1=CC=CC=C1)OCCSC
Structure:
CAS RN: 86240-50-8
CAS Name: 3-(hydroxymethyl)-4-oxanol
OPENEYE Name: 3-(hydroxymethyl)tetrahydropyran-4-ol
IUPAC Name: 3-(hydroxymethyl)oxan-4-ol
SYSTEMATIC NAME: 3-(hydroxymethyl)oxan-4-ol
MOLECULAR FORMULA: C6H12O3
MOLECULAR WEIGHT: 132.15768
SMILES: C1COCC(C1O)CO
Structure:
CAS RN: 57856-18-5
CAS Name: (2-chlorophenoxy)-ethoxy-phenyl-sulfanylidenephosphorane
OPENEYE Name: (2-chlorophenoxy)-ethoxy-phenyl-thioxo-$l^{5}-phosphane
IUPAC Name: (2-chlorophenoxy)-ethoxy-phenyl-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: (2-chloranylphenoxy)-ethoxy-phenyl-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C14H14ClO2PS
MOLECULAR WEIGHT: 312.751521
SMILES: CCOP(=S)(C1=CC=CC=C1)OC2=CC=CC=C2Cl
Structure:
CAS RN: 3721-21-9
CAS Name: N-(2-chlorocyclohexyl)benzamide
OPENEYE Name: N-(2-chlorocyclohexyl)benzamide
IUPAC Name: N-(2-chlorocyclohexyl)benzamide
SYSTEMATIC NAME: N-(2-chloranylcyclohexyl)benzamide
MOLECULAR FORMULA: C13H16ClNO
MOLECULAR WEIGHT: 237.72524
SMILES: C1CCC(C(C1)NC(=O)C2=CC=CC=C2)Cl
Structure:
CAS RN: 3817-96-7
CAS Name: 2-chloro-2-phenylindene-1,3-dione
OPENEYE Name: 2-chloro-2-phenyl-indane-1,3-dione
IUPAC Name: 2-chloro-2-phenylindene-1,3-dione
SYSTEMATIC NAME: 2-chloranyl-2-phenyl-indene-1,3-dione
MOLECULAR FORMULA: C15H9ClO2
MOLECULAR WEIGHT: 256.68376
SMILES: C1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)Cl
Structure:
CAS RN: 51870-22-5
CAS Name: 2-(4-hydroxy-3-methoxyphenyl)indene-1,3-dione
OPENEYE Name: 2-(4-hydroxy-3-methoxy-phenyl)indane-1,3-dione
IUPAC Name: 2-(4-hydroxy-3-methoxyphenyl)indene-1,3-dione
SYSTEMATIC NAME: 2-(3-methoxy-4-oxidanyl-phenyl)indene-1,3-dione
MOLECULAR FORMULA: C16H12O4
MOLECULAR WEIGHT: 268.26408
SMILES: COC1=C(C=CC(=C1)C2C(=O)C3=CC=CC=C3C2=O)O
Structure:
CAS RN: 78644-78-7
CAS Name: N-(4-methoxyphenyl)-2-pyridinamine
OPENEYE Name: N-(4-methoxyphenyl)pyridin-2-amine
IUPAC Name: N-(4-methoxyphenyl)pyridin-2-amine
SYSTEMATIC NAME: N-(4-methoxyphenyl)pyridin-2-amine
MOLECULAR FORMULA: C12H12N2O
MOLECULAR WEIGHT: 200.23648
SMILES: COC1=CC=C(C=C1)NC2=CC=CC=N2
Structure:
CAS RN: 22501-77-5
CAS Name: 4-(5-methyl-1,3-benzoxazol-2-yl)aniline
OPENEYE Name: 4-(5-methyl-1,3-benzoxazol-2-yl)aniline
IUPAC Name: 4-(5-methyl-1,3-benzoxazol-2-yl)aniline
SYSTEMATIC NAME: 4-(5-methyl-1,3-benzoxazol-2-yl)aniline
MOLECULAR FORMULA: C14H12N2O
MOLECULAR WEIGHT: 224.25788
SMILES: CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)N
Structure:
CAS RN: 2942-13-4
CAS Name: 6-methoxy-1,3-benzothiazole
OPENEYE Name: 6-methoxy-1,3-benzothiazole
IUPAC Name: 6-methoxy-1,3-benzothiazole
SYSTEMATIC NAME: 6-methoxy-1,3-benzothiazole
MOLECULAR FORMULA: C8H7NOS
MOLECULAR WEIGHT: 165.21228
SMILES: COC1=CC2=C(C=C1)N=CS2
Structure:
CAS RN: 73041-54-0
CAS Name: 2-[(5-chloro-2-methylphenyl)-oxomethyl]benzoic acid
OPENEYE Name: 2-(5-chloro-2-methyl-benzoyl)benzoic acid
IUPAC Name: 2-(5-chloro-2-methylbenzoyl)benzoic acid
SYSTEMATIC NAME: 2-(5-chloranyl-2-methyl-phenyl)carbonylbenzoic acid
MOLECULAR FORMULA: C15H11ClO3
MOLECULAR WEIGHT: 274.69904
SMILES: CC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2C(=O)O
Structure:
CAS RN: 40037-18-1
CAS Name: 1-(4-methoxyphenyl)-N-(2-pyridinyl)methanimine
OPENEYE Name: 1-(4-methoxyphenyl)-N-(2-pyridyl)methanimine
IUPAC Name: 1-(4-methoxyphenyl)-N-pyridin-2-ylmethanimine
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-N-pyridin-2-yl-methanimine
MOLECULAR FORMULA: C13H12N2O
MOLECULAR WEIGHT: 212.24718
SMILES: COC1=CC=C(C=C1)C=NC2=CC=CC=N2
Structure:
CAS RN: 15430-40-7
CAS Name: N,N'-dioctadecylethane-1,2-diamine
OPENEYE Name: N,N'-dioctadecylethane-1,2-diamine
IUPAC Name: N,N'-dioctadecylethane-1,2-diamine
SYSTEMATIC NAME: N,N'-dioctadecylethane-1,2-diamine
MOLECULAR FORMULA: C38H80N2
MOLECULAR WEIGHT: 565.0552
SMILES: CCCCCCCCCCCCCCCCCCNCCNCCCCCCCCCCCCCCCCCC
Structure:
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