CAS RN: 77726-10-4
CAS Name: N-[4-hydroxy-3-[(4-phenyl-1-piperazinyl)methyl]phenyl]acetamide
OPENEYE Name: N-[4-hydroxy-3-[(4-phenylpiperazin-1-yl)methyl]phenyl]acetamide
IUPAC Name: N-[4-hydroxy-3-[(4-phenylpiperazin-1-yl)methyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-oxidanyl-3-[(4-phenylpiperazin-1-yl)methyl]phenyl]ethanamide
MOLECULAR FORMULA: C19H23N3O2
MOLECULAR WEIGHT: 325.40482
SMILES: CC(=O)NC1=CC(=C(C=C1)O)CN2CCN(CC2)C3=CC=CC=C3
Structure:
CAS RN: 75876-02-7
CAS Name: N-methyl-3-[3-(4-nitrophenyl)-1H-pyrazol-5-yl]-1-propanamine
OPENEYE Name: N-methyl-3-[3-(4-nitrophenyl)-1H-pyrazol-5-yl]propan-1-amine
IUPAC Name: N-methyl-3-[3-(4-nitrophenyl)-1H-pyrazol-5-yl]propan-1-amine
SYSTEMATIC NAME: N-methyl-3-[3-(4-nitrophenyl)-1H-pyrazol-5-yl]propan-1-amine
MOLECULAR FORMULA: C13H16N4O2
MOLECULAR WEIGHT: 260.29174
SMILES: CNCCCC1=CC(=NN1)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 39178-28-4
CAS Name: 2-(1-methyl-2-pyrrolidinylidene)-1-phenylethanone
OPENEYE Name: 2-(1-methylpyrrolidin-2-ylidene)-1-phenyl-ethanone
IUPAC Name: 2-(1-methylpyrrolidin-2-ylidene)-1-phenylethanone
SYSTEMATIC NAME: 2-(1-methylpyrrolidin-2-ylidene)-1-phenyl-ethanone
MOLECULAR FORMULA: C13H15NO
MOLECULAR WEIGHT: 201.2643
SMILES: CN1CCCC1=CC(=O)C2=CC=CC=C2
Structure:
CAS RN: 57705-38-1
CAS Name: 2-(1-methyl-2-pyrrolidinylidene)-1-(4-nitrophenyl)ethanone
OPENEYE Name: 2-(1-methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone
IUPAC Name: 2-(1-methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone
SYSTEMATIC NAME: 2-(1-methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone
MOLECULAR FORMULA: C13H14N2O3
MOLECULAR WEIGHT: 246.26186
SMILES: CN1CCCC1=CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 21985-16-0
CAS Name: 2-cyano-2-(1-methyl-2-pyrrolidinylidene)acetic acid ethyl ester
OPENEYE Name: ethyl 2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetate
IUPAC Name: ethyl 2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetate
SYSTEMATIC NAME: ethyl 2-cyano-2-(1-methylpyrrolidin-2-ylidene)ethanoate
MOLECULAR FORMULA: C10H14N2O2
MOLECULAR WEIGHT: 194.23036
SMILES: CCOC(=O)C(=C1CCCN1C)C#N
Structure:
CAS RN: 18797-85-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H26N2O5
MOLECULAR WEIGHT: 398.45224
SMILES: CC(=O)N1C2C3C4CC5C2(CCN5CC4=CCOC3O)C6=C1C(=C(C=C6)OC)O
Structure:
CAS RN: 509-40-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H24N2O3
MOLECULAR WEIGHT: 352.42686
SMILES: CC(=O)N1C2C3C4CC5C2(CCN5CC4=CCOC3O)C6=CC=CC=C61
Structure:
CAS RN: 383-53-9
CAS Name: 2-bromo-1-[4-(trifluoromethyl)phenyl]ethanone
OPENEYE Name: 2-bromo-1-[4-(trifluoromethyl)phenyl]ethanone
IUPAC Name: 2-bromo-1-[4-(trifluoromethyl)phenyl]ethanone
SYSTEMATIC NAME: 2-bromanyl-1-[4-(trifluoromethyl)phenyl]ethanone
MOLECULAR FORMULA: C9H6BrF3O
MOLECULAR WEIGHT: 267.04255
SMILES: C1=CC(=CC=C1C(=O)CBr)C(F)(F)F
Structure:
CAS RN: 25021-46-9
CAS Name: 4-(4-nitrophenyl)-2-(phenoxymethyl)thiazole
OPENEYE Name: 4-(4-nitrophenyl)-2-(phenoxymethyl)thiazole
IUPAC Name: 4-(4-nitrophenyl)-2-(phenoxymethyl)-1,3-thiazole
SYSTEMATIC NAME: 4-(4-nitrophenyl)-2-(phenoxymethyl)-1,3-thiazole
MOLECULAR FORMULA: C16H12N2O3S
MOLECULAR WEIGHT: 312.34308
SMILES: C1=CC=C(C=C1)OCC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 57817-55-7
CAS Name: 6-bromohexanamide
OPENEYE Name: 6-bromohexanamide
IUPAC Name: 6-bromohexanamide
SYSTEMATIC NAME: 6-bromanylhexanamide
MOLECULAR FORMULA: C6H12BrNO
MOLECULAR WEIGHT: 194.06958
SMILES: C(CCC(=O)N)CCBr
Structure:
CAS RN: 6877-82-3
CAS Name: 3-[14-hydroxy-10,13-dimethyl-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
OPENEYE Name: 3-[14-hydroxy-10,13-dimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC Name: 3-[14-hydroxy-10,13-dimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C29H44O9
MOLECULAR WEIGHT: 536.65426
SMILES: CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)OC6C(C(C(C(O6)CO)O)O)O
Structure:
CAS RN: 69484-49-7
CAS Name: 3-[(4-chloro-1-oxobutyl)amino]-4-phenoxy-5-sulfamoylbenzoic acid
OPENEYE Name: 3-(4-chlorobutanoylamino)-4-phenoxy-5-sulfamoyl-benzoic acid
IUPAC Name: 3-(4-chlorobutanoylamino)-4-phenoxy-5-sulfamoylbenzoic acid
SYSTEMATIC NAME: 3-(4-chloranylbutanoylamino)-4-phenoxy-5-sulfamoyl-benzoic acid
MOLECULAR FORMULA: C17H17ClN2O6S
MOLECULAR WEIGHT: 412.84468
SMILES: C1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NC(=O)CCCCl
Structure:
CAS RN: 56751-20-3
CAS Name: ethoxycarbonylimino-oxido-phenylammonium
OPENEYE Name: ethoxycarbonylimino-oxido-phenyl-ammonium
IUPAC Name: ethoxycarbonylimino-oxido-phenylazanium
SYSTEMATIC NAME: ethoxycarbonylimino-oxidanidyl-phenyl-azanium
MOLECULAR FORMULA: C9H10N2O3
MOLECULAR WEIGHT: 194.1873
SMILES: CCOC(=O)N=[N+](C1=CC=CC=C1)[O-]
Structure:
CAS RN: 56751-21-4
CAS Name: benzoylimino-oxido-phenylammonium
OPENEYE Name: benzoylimino-oxido-phenyl-ammonium
IUPAC Name: benzoylimino-oxido-phenylazanium
SYSTEMATIC NAME: oxidanidyl-phenyl-(phenylcarbonylimino)azanium
MOLECULAR FORMULA: C13H10N2O2
MOLECULAR WEIGHT: 226.2307
SMILES: C1=CC=C(C=C1)C(=O)N=[N+](C2=CC=CC=C2)[O-]
Structure:
CAS RN: 60142-49-6
CAS Name: carbamoylimino-oxido-phenylammonium
OPENEYE Name: carbamoylimino-oxido-phenyl-ammonium
IUPAC Name: carbamoylimino-oxido-phenylazanium
SYSTEMATIC NAME: aminocarbonylimino-oxidanidyl-phenyl-azanium
MOLECULAR FORMULA: C7H7N3O2
MOLECULAR WEIGHT: 165.14938
SMILES: C1=CC=C(C=C1)[N+](=NC(=O)N)[O-]
Structure:
CAS RN: 62825-16-5
CAS Name: cyanoimino-[4-(dimethylamino)phenyl]-oxidoammonium
OPENEYE Name: cyanoimino-[4-(dimethylamino)phenyl]-oxido-ammonium
IUPAC Name: cyanoimino-[4-(dimethylamino)phenyl]-oxidoazanium
SYSTEMATIC NAME: cyanoimino-[4-(dimethylamino)phenyl]-oxidanidyl-azanium
MOLECULAR FORMULA: C9H10N4O
MOLECULAR WEIGHT: 190.2019
SMILES: CN(C)C1=CC=C(C=C1)[N+](=NC#N)[O-]
Structure:
CAS RN: 62825-15-4
CAS Name: cyanoimino-(4-methoxyphenyl)-oxidoammonium
OPENEYE Name: cyanoimino-(4-methoxyphenyl)-oxido-ammonium
IUPAC Name: cyanoimino-(4-methoxyphenyl)-oxidoazanium
SYSTEMATIC NAME: cyanoimino-(4-methoxyphenyl)-oxidanidyl-azanium
MOLECULAR FORMULA: C8H7N3O2
MOLECULAR WEIGHT: 177.16008
SMILES: COC1=CC=C(C=C1)[N+](=NC#N)[O-]
Structure:
CAS RN: 62825-14-3
CAS Name: cyanoimino-(3-methoxyphenyl)-oxidoammonium
OPENEYE Name: cyanoimino-(3-methoxyphenyl)-oxido-ammonium
IUPAC Name: cyanoimino-(3-methoxyphenyl)-oxidoazanium
SYSTEMATIC NAME: cyanoimino-(3-methoxyphenyl)-oxidanidyl-azanium
MOLECULAR FORMULA: C8H7N3O2
MOLECULAR WEIGHT: 177.16008
SMILES: COC1=CC=CC(=C1)[N+](=NC#N)[O-]
Structure:
CAS RN: 62825-13-2
CAS Name: cyanoimino-(2-methoxyphenyl)-oxidoammonium
OPENEYE Name: cyanoimino-(2-methoxyphenyl)-oxido-ammonium
IUPAC Name: cyanoimino-(2-methoxyphenyl)-oxidoazanium
SYSTEMATIC NAME: cyanoimino-(2-methoxyphenyl)-oxidanidyl-azanium
MOLECULAR FORMULA: C8H7N3O2
MOLECULAR WEIGHT: 177.16008
SMILES: COC1=CC=CC=C1[N+](=NC#N)[O-]
Structure:
CAS RN: 60142-50-9
CAS Name: cyanoimino-(4-nitrophenyl)-oxidoammonium
OPENEYE Name: cyanoimino-(4-nitrophenyl)-oxido-ammonium
IUPAC Name: cyanoimino-(4-nitrophenyl)-oxidoazanium
SYSTEMATIC NAME: cyanoimino-(4-nitrophenyl)-oxidanidyl-azanium
MOLECULAR FORMULA: C7H4N4O3
MOLECULAR WEIGHT: 192.13166
SMILES: C1=CC(=CC=C1[N+](=NC#N)[O-])[N+](=O)[O-]
Structure:
CAS RN: 62825-12-1
CAS Name: cyanoimino-(3-nitrophenyl)-oxidoammonium
OPENEYE Name: cyanoimino-(3-nitrophenyl)-oxido-ammonium
IUPAC Name: cyanoimino-(3-nitrophenyl)-oxidoazanium
SYSTEMATIC NAME: cyanoimino-(3-nitrophenyl)-oxidanidyl-azanium
MOLECULAR FORMULA: C7H4N4O3
MOLECULAR WEIGHT: 192.13166
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=NC#N)[O-]
Structure:
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