CAS RN: 6178-48-9
CAS Name: 2-(4-chloroanilino)-3-[(4-methoxyphenyl)iminomethyl]-9-methyl-4-pyrido[1,2-a]pyrimidinone
OPENEYE Name: 2-(4-chloroanilino)-3-[(4-methoxyphenyl)iminomethyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one
IUPAC Name: 2-(4-chloroanilino)-3-[(4-methoxyphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SYSTEMATIC NAME: 2-[(4-chlorophenyl)amino]-3-[(4-methoxyphenyl)iminomethyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one
MOLECULAR FORMULA: C23H19ClN4O2
MOLECULAR WEIGHT: 418.87556
SMILES: CC1=CC=CN2C1=NC(=C(C2=O)C=NC3=CC=C(C=C3)OC)NC4=CC=C(C=C4)Cl
Structure:
CAS RN: 5318-70-7
CAS Name: 2-(2-chlorophenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]-2-propenenitrile
OPENEYE Name: 2-(2-chlorophenyl)-3-[4-(m-tolylmethoxy)phenyl]prop-2-enenitrile
IUPAC Name: 2-(2-chlorophenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enenitrile
SYSTEMATIC NAME: 2-(2-chlorophenyl)-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enenitrile
MOLECULAR FORMULA: C23H18ClNO
MOLECULAR WEIGHT: 359.84812
SMILES: CC1=CC(=CC=C1)COC2=CC=C(C=C2)C=C(C#N)C3=CC=CC=C3Cl
Structure:
CAS RN: 5112-67-4
CAS Name: 1-[(5-chloro-2-ethoxyphenyl)-(3-quinolinyl)methyl]-3-piperidinecarboxylic acid
OPENEYE Name: 1-[(5-chloro-2-ethoxy-phenyl)-(3-quinolyl)methyl]piperidine-3-carboxylic acid
IUPAC Name: 1-[(5-chloro-2-ethoxyphenyl)-quinolin-3-ylmethyl]piperidine-3-carboxylic acid
SYSTEMATIC NAME: 1-[(5-chloranyl-2-ethoxy-phenyl)-quinolin-3-yl-methyl]piperidine-3-carboxylic acid
MOLECULAR FORMULA: C24H25ClN2O3
MOLECULAR WEIGHT: 424.9199
SMILES: CCOC1=C(C=C(C=C1)Cl)C(C2=CC3=CC=CC=C3N=C2)N4CCCC(C4)C(=O)O
Structure:
CAS RN: 5127-47-9
CAS Name: 1-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: 1-[1-(4-benzyloxy-3-methoxy-phenyl)ethyl]pyrrolidine-2-carboxylic acid
IUPAC Name: 1-[1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-[1-(3-methoxy-4-phenylmethoxy-phenyl)ethyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C21H25NO4
MOLECULAR WEIGHT: 355.4275
SMILES: CC(C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)N3CCCC3C(=O)O
Structure:
CAS RN: 5892-13-7
CAS Name: 5-[[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]amino]-N-(2-oxolanylmethyl)-2-(1-piperidinyl)benzamide
OPENEYE Name: 5-[[3,5-bis(trifluoromethyl)benzoyl]amino]-2-(1-piperidyl)-N-(tetrahydrofuran-2-ylmethyl)benzamide
IUPAC Name: 5-[[3,5-bis(trifluoromethyl)benzoyl]amino]-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylbenzamide
SYSTEMATIC NAME: 5-[[3,5-bis(trifluoromethyl)phenyl]carbonylamino]-N-(oxolan-2-ylmethyl)-2-piperidin-1-yl-benzamide
MOLECULAR FORMULA: C26H27F6N3O3
MOLECULAR WEIGHT: 543.501299
SMILES: C1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)NCC4CCCO4
Structure:
CAS RN: 6511-14-4
CAS Name: N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-8-quinolinesulfonamide
OPENEYE Name: N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]quinoline-8-sulfonamide
IUPAC Name: N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]quinoline-8-sulfonamide
SYSTEMATIC NAME: N-[2-(5-oxidanyl-1H-indol-3-yl)ethyl]quinoline-8-sulfonamide
MOLECULAR FORMULA: C19H17N3O3S
MOLECULAR WEIGHT: 367.42158
SMILES: C1=CC2=C(C(=C1)S(=O)(=O)NCCC3=CNC4=C3C=C(C=C4)O)N=CC=C2
Structure:
CAS RN: 5793-55-5
CAS Name: N1,N5-bis(4-butoxyphenyl)naphthalene-1,5-disulfonamide
OPENEYE Name: N1,N5-bis(4-butoxyphenyl)naphthalene-1,5-disulfonamide
IUPAC Name: 1-N,5-N-bis(4-butoxyphenyl)naphthalene-1,5-disulfonamide
SYSTEMATIC NAME: N1,N5-bis(4-butoxyphenyl)naphthalene-1,5-disulfonamide
MOLECULAR FORMULA: C30H34N2O6S2
MOLECULAR WEIGHT: 582.73076
SMILES: CCCCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3S(=O)(=O)NC4=CC=C(C=C4)OCCCC
Structure:
CAS RN: 68043-53-8
CAS Name: 6-nitro-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 6-nitrochroman-4-one
IUPAC Name: 6-nitro-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: 6-nitro-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C9H7NO4
MOLECULAR WEIGHT: 193.15618
SMILES: C1COC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 5662-73-7
CAS Name: 4-(difluoromethoxy)benzoic acid (1,3-dioxo-2-isoindolyl)methyl ester
OPENEYE Name: (1,3-dioxoisoindolin-2-yl)methyl 4-(difluoromethoxy)benzoate
IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 4-(difluoromethoxy)benzoate
SYSTEMATIC NAME: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 4-[bis(fluoranyl)methoxy]benzoate
MOLECULAR FORMULA: C17H11F2NO5
MOLECULAR WEIGHT: 347.269746
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)COC(=O)C3=CC=C(C=C3)OC(F)F
Structure:
CAS RN: 6504-40-1
CAS Name: 7,16-didodecyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
OPENEYE Name: 7,16-didodecyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
IUPAC Name: 7,16-didodecyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
SYSTEMATIC NAME: 7,16-didodecyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
MOLECULAR FORMULA: C36H74N2O4
MOLECULAR WEIGHT: 598.98376
SMILES: CCCCCCCCCCCCN1CCOCCOCCN(CCOCCOCC1)CCCCCCCCCCCC
Structure:
CAS RN: 6027-69-6
CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[ethylsulfonyl-[2-(1-pyrrolidinyl)ethyl]amino]-N-[(3-methyl-2-thiophenyl)methyl]acetamide
OPENEYE Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[ethylsulfonyl(2-pyrrolidin-1-ylethyl)amino]-N-[(3-methyl-2-thienyl)methyl]acetamide
IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[ethylsulfonyl(2-pyrrolidin-1-ylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SYSTEMATIC NAME: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[ethylsulfonyl(2-pyrrolidin-1-ylethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]ethanamide
MOLECULAR FORMULA: C26H39N3O5S2
MOLECULAR WEIGHT: 537.73496
SMILES: CCS(=O)(=O)N(CCN1CCCC1)CC(=O)N(CCC2=CC(=C(C=C2)OC)OC)CC3=C(C=CS3)C
Structure:
CAS RN: 6027-08-3
CAS Name: 2-[[(4-ethoxyanilino)-oxomethyl]-(2-methylpropyl)amino]-N-[(3-methyl-2-thiophenyl)methyl]-N-(phenylmethyl)acetamide
OPENEYE Name: N-benzyl-2-[(4-ethoxyphenyl)carbamoyl-isobutyl-amino]-N-[(3-methyl-2-thienyl)methyl]acetamide
IUPAC Name: N-benzyl-2-[(4-ethoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SYSTEMATIC NAME: 2-[(4-ethoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]-N-(phenylmethyl)ethanamide
MOLECULAR FORMULA: C28H35N3O3S
MOLECULAR WEIGHT: 493.6608
SMILES: CCOC1=CC=C(C=C1)NC(=O)N(CC(C)C)CC(=O)N(CC2=CC=CC=C2)CC3=C(C=CS3)C
Structure:
CAS RN: 6024-63-1
CAS Name: N-[2-[(4-fluorophenyl)methyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)pentanamide
OPENEYE Name: N-[2-[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-(2-methoxyethyl)pentanamide
IUPAC Name: N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)pentanamide
SYSTEMATIC NAME: N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-(2-methoxyethyl)pentanamide
MOLECULAR FORMULA: C23H31FN2O3S
MOLECULAR WEIGHT: 434.567243
SMILES: CCCCC(=O)N(CCOC)CC(=O)N(CC1=CC=C(C=C1)F)CC2=C(C=CS2)C
Structure:
CAS RN: 5646-49-1
CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid (4-cyanophenyl)methyl ester
OPENEYE Name: (4-cyanophenyl)methyl 5-bromo-3-methyl-benzofuran-2-carboxylate
IUPAC Name: (4-cyanophenyl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate
SYSTEMATIC NAME: (4-cyanophenyl)methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate
MOLECULAR FORMULA: C18H12BrNO3
MOLECULAR WEIGHT: 370.19678
SMILES: CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC3=CC=C(C=C3)C#N
Structure:
CAS RN: 5641-58-7
CAS Name: 2-(2-nitrophenyl)-4-(thiophen-2-ylmethylidene)-5-oxazolone
OPENEYE Name: 2-(2-nitrophenyl)-4-(2-thienylmethylene)oxazol-5-one
IUPAC Name: 2-(2-nitrophenyl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
SYSTEMATIC NAME: 2-(2-nitrophenyl)-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
MOLECULAR FORMULA: C14H8N2O4S
MOLECULAR WEIGHT: 300.28932
SMILES: C1=CC=C(C(=C1)C2=NC(=CC3=CC=CS3)C(=O)O2)[N+](=O)[O-]
Structure:
CAS RN: 5873-51-8
CAS Name: 1-[1-(7-chloro-3-ethyl-4-oxo-2-quinazolinyl)propyl]-3-(3-chlorophenyl)-1-propylurea
OPENEYE Name: 1-[1-(7-chloro-3-ethyl-4-oxo-quinazolin-2-yl)propyl]-3-(3-chlorophenyl)-1-propyl-urea
IUPAC Name: 1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(3-chlorophenyl)-1-propylurea
SYSTEMATIC NAME: 1-[1-(7-chloranyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)propyl]-3-(3-chlorophenyl)-1-propyl-urea
MOLECULAR FORMULA: C23H26Cl2N4O2
MOLECULAR WEIGHT: 461.38414
SMILES: CCCN(C(CC)C1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC)C(=O)NC3=CC(=CC=C3)Cl
Structure:
CAS RN: 6653-28-7
CAS Name: 2-bromo-2-nitroacetic acid ethyl ester
OPENEYE Name: ethyl 2-bromo-2-nitro-acetate
IUPAC Name: ethyl 2-bromo-2-nitroacetate
SYSTEMATIC NAME: ethyl 2-bromanyl-2-nitro-ethanoate
MOLECULAR FORMULA: C4H6BrNO4
MOLECULAR WEIGHT: 211.99874
SMILES: CCOC(=O)C([N+](=O)[O-])Br
Structure:
CAS RN: 6650-22-2
CAS Name: N'-[[5-(4-bromophenyl)-2-furanyl]methylideneamino]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxamide
OPENEYE Name: N'-[[5-(4-bromophenyl)-2-furyl]methyleneamino]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)oxamide
IUPAC Name: N'-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxamide
SYSTEMATIC NAME: N'-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanediamide
MOLECULAR FORMULA: C22H17BrN4O3S
MOLECULAR WEIGHT: 497.36438
SMILES: C1CCC2=C(C1)C(=C(S2)NC(=O)C(=O)NN=CC3=CC=C(O3)C4=CC=C(C=C4)Br)C#N
Structure:
CAS RN: 5761-19-3
CAS Name: 2-[(7-amino-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)thio]-N-(2-pyrazinyl)acetamide
OPENEYE Name: 2-[(7-amino-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-pyrazin-2-yl-acetamide
IUPAC Name: 2-[(7-amino-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-pyrazin-2-ylacetamide
SYSTEMATIC NAME: 2-[(7-azanyl-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-pyrazin-2-yl-ethanamide
MOLECULAR FORMULA: C9H9N9OS
MOLECULAR WEIGHT: 291.29246
SMILES: C1=CN=C(C=N1)NC(=O)CSC2=NN=C3N2N=CN3N
Structure:
CAS RN: 5921-01-7
CAS Name: N-butan-2-yl-2-fluoro-N-[2-[(4-fluorophenyl)methyl-[(5-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]benzamide
OPENEYE Name: 2-fluoro-N-[2-[(4-fluorophenyl)methyl-[(5-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-sec-butyl-benzamide
IUPAC Name: N-butan-2-yl-2-fluoro-N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]benzamide
SYSTEMATIC NAME: N-butan-2-yl-2-fluoranyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]benzamide
MOLECULAR FORMULA: C26H28F2N2O2S
MOLECULAR WEIGHT: 470.574526
SMILES: CCC(C)N(CC(=O)N(CC1=CC=C(C=C1)F)CC2=CC=C(S2)C)C(=O)C3=CC=CC=C3F
Structure:
CAS RN: 6334-82-3
CAS Name: N-(4-methyl-3-nitrophenyl)benzamide
OPENEYE Name: N-(4-methyl-3-nitro-phenyl)benzamide
IUPAC Name: N-(4-methyl-3-nitrophenyl)benzamide
SYSTEMATIC NAME: N-(4-methyl-3-nitro-phenyl)benzamide
MOLECULAR FORMULA: C14H12N2O3
MOLECULAR WEIGHT: 256.25668
SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 6622-23-7
CAS Name: 2-[3-chloro-4-[(4-propan-2-yloxyphenyl)methoxy]phenyl]acetic acid
OPENEYE Name: 2-[3-chloro-4-[(4-isopropoxyphenyl)methoxy]phenyl]acetic acid
IUPAC Name: 2-[3-chloro-4-[(4-propan-2-yloxyphenyl)methoxy]phenyl]acetic acid
SYSTEMATIC NAME: 2-[3-chloranyl-4-[(4-propan-2-yloxyphenyl)methoxy]phenyl]ethanoic acid
MOLECULAR FORMULA: C18H19ClO4
MOLECULAR WEIGHT: 334.79406
SMILES: CC(C)OC1=CC=C(C=C1)COC2=C(C=C(C=C2)CC(=O)O)Cl
Structure:
CAS RN: 6215-06-1
CAS Name: 3-(1,1-dioxo-3-thiolanyl)-2-phenyl-4-quinazolinone
OPENEYE Name: 3-(1,1-dioxothiolan-3-yl)-2-phenyl-quinazolin-4-one
IUPAC Name: 3-(1,1-dioxothiolan-3-yl)-2-phenylquinazolin-4-one
SYSTEMATIC NAME: 3-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-phenyl-quinazolin-4-one
MOLECULAR FORMULA: C18H16N2O3S
MOLECULAR WEIGHT: 340.39624
SMILES: C1CS(=O)(=O)CC1N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
Structure:
CAS RN: 5662-86-2
CAS Name: 2-(6-methoxy-3-benzofuranyl)acetic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester
OPENEYE Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 2-(6-methoxybenzofuran-3-yl)acetate
IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SYSTEMATIC NAME: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)ethanoate
MOLECULAR FORMULA: C17H20N2O6
MOLECULAR WEIGHT: 348.3505
SMILES: CC(C)NC(=O)NC(=O)COC(=O)CC1=COC2=C1C=CC(=C2)OC
Structure:
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