CAS RN: 4720-42-7
CAS Name: 2-[5-[(4-fluorophenyl)-oxomethyl]-2-thiophenyl]acetic acid
OPENEYE Name: 2-[5-(4-fluorobenzoyl)-2-thienyl]acetic acid
IUPAC Name: 2-[5-(4-fluorobenzoyl)thiophen-2-yl]acetic acid
SYSTEMATIC NAME: 2-[5-(4-fluorophenyl)carbonylthiophen-2-yl]ethanoic acid
MOLECULAR FORMULA: C13H9FO3S
MOLECULAR WEIGHT: 264.272163
SMILES: C1=CC(=CC=C1C(=O)C2=CC=C(S2)CC(=O)O)F
Structure:
CAS RN: 4537-23-9
CAS Name: 4-[[(3,5-dibromo-2-iodophenyl)-oxomethyl]amino]benzoic acid propyl ester
OPENEYE Name: propyl 4-[(3,5-dibromo-2-iodo-benzoyl)amino]benzoate
IUPAC Name: propyl 4-[(3,5-dibromo-2-iodobenzoyl)amino]benzoate
SYSTEMATIC NAME: propyl 4-[[3,5-bis(bromanyl)-2-iodanyl-phenyl]carbonylamino]benzoate
MOLECULAR FORMULA: C17H14Br2INO3
MOLECULAR WEIGHT: 567.01043
SMILES: CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2I)Br)Br
Structure:
CAS RN: 4767-42-4
CAS Name: 4-methyl-N-[4-methyl-3-(phenylmethyl)-2-thiazolylidene]benzenesulfonamide
OPENEYE Name: N-(3-benzyl-4-methyl-thiazol-2-ylidene)-4-methyl-benzenesulfonamide
IUPAC Name: N-(3-benzyl-4-methyl-1,3-thiazol-2-ylidene)-4-methylbenzenesulfonamide
SYSTEMATIC NAME: 4-methyl-N-[4-methyl-3-(phenylmethyl)-1,3-thiazol-2-ylidene]benzenesulfonamide
MOLECULAR FORMULA: C18H18N2O2S2
MOLECULAR WEIGHT: 358.47772
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=C2N(C(=CS2)C)CC3=CC=CC=C3
Structure:
CAS RN: 6696-82-8
CAS Name: 4-[[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzonitrile
OPENEYE Name: 4-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzonitrile
IUPAC Name: 4-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzonitrile
SYSTEMATIC NAME: 4-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile
MOLECULAR FORMULA: C12H11N3O2S
MOLECULAR WEIGHT: 261.29964
SMILES: COCC1=NN=C(O1)SCC2=CC=C(C=C2)C#N
Structure:
CAS RN: 7226-34-8
CAS Name: 4-nitrobenzoic acid [3-methyl-2-(1-naphthalenyl)pent-4-en-2-yl] ester
OPENEYE Name: [1,2-dimethyl-1-(1-naphthyl)but-3-enyl] 4-nitrobenzoate
IUPAC Name: (3-methyl-2-naphthalen-1-ylpent-4-en-2-yl) 4-nitrobenzoate
SYSTEMATIC NAME: (3-methyl-2-naphthalen-1-yl-pent-4-en-2-yl) 4-nitrobenzoate
MOLECULAR FORMULA: C23H21NO4
MOLECULAR WEIGHT: 375.41714
SMILES: CC(C=C)C(C)(C1=CC=CC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 845-10-3
CAS Name: 2-[4-(dimethylamino)phenyl]azobenzoate
OPENEYE Name: 2-[4-(dimethylamino)phenyl]azobenzoate
IUPAC Name: 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate
SYSTEMATIC NAME: 2-[[4-(dimethylamino)phenyl]diazenyl]benzoate
MOLECULAR FORMULA: C15H14N3O2-
MOLECULAR WEIGHT: 268.29056
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)[O-]
Structure:
CAS RN: 4568-88-1
CAS Name: 3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [4-(4-methoxyphenyl)-8-methyl-2-oxo-1-benzopyran-7-yl] ester
OPENEYE Name: [4-(4-methoxyphenyl)-8-methyl-2-oxo-chromen-7-yl] 2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoate
IUPAC Name: [4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl] 3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SYSTEMATIC NAME: [4-(4-methoxyphenyl)-8-methyl-2-oxidanylidene-chromen-7-yl] 3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
MOLECULAR FORMULA: C33H32N2O7
MOLECULAR WEIGHT: 568.61638
SMILES: CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=C(C=C3)OC)OC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)OC(C)(C)C
Structure:
CAS RN: 6192-34-3
CAS Name: 3-[[2-(2-methoxyphenyl)-3-thiazolidinyl]-oxomethyl]-1-benzopyran-2-one
OPENEYE Name: 3-[2-(2-methoxyphenyl)thiazolidine-3-carbonyl]chromen-2-one
IUPAC Name: 3-[2-(2-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one
SYSTEMATIC NAME: 3-[[2-(2-methoxyphenyl)-1,3-thiazolidin-3-yl]carbonyl]chromen-2-one
MOLECULAR FORMULA: C20H17NO4S
MOLECULAR WEIGHT: 367.41828
SMILES: COC1=CC=CC=C1C2N(CCS2)C(=O)C3=CC4=CC=CC=C4OC3=O
Structure:
CAS RN: 4649-32-5
CAS Name: 2-[4-[[4-(5-carboxy-1,3-dioxo-2-isoindolyl)phenyl]methyl]phenyl]-1,3-dioxo-5-isoindolecarboxylic acid
OPENEYE Name: 2-[4-[[4-(5-carboxy-1,3-dioxo-isoindolin-2-yl)phenyl]methyl]phenyl]-1,3-dioxo-isoindoline-5-carboxylic acid
IUPAC Name: 2-[4-[[4-(5-carboxy-1,3-dioxoisoindol-2-yl)phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid
SYSTEMATIC NAME: 2-[4-[[4-[5-carboxy-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]methyl]phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid
MOLECULAR FORMULA: C31H18N2O8
MOLECULAR WEIGHT: 546.48322
SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O)N5C(=O)C6=C(C5=O)C=C(C=C6)C(=O)O
Structure:
CAS RN: 6188-52-9
CAS Name: N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
OPENEYE Name: N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
IUPAC Name: N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
SYSTEMATIC NAME: N-butyl-1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
MOLECULAR FORMULA: C25H34N2O3S
MOLECULAR WEIGHT: 442.61406
SMILES: CCCCNC(=S)N1CCC2=CC(=C(C=C2C1COC3=CC(=CC(=C3)C)C)OC)OC
Structure:
CAS RN: 4888-20-4
CAS Name: N-(1,1-dioxo-3-thiolanyl)-2-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
OPENEYE Name: N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(4-isopropylphenyl)methyl]benzamide
IUPAC Name: N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
SYSTEMATIC NAME: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-fluoranyl-N-[(4-propan-2-ylphenyl)methyl]benzamide
MOLECULAR FORMULA: C21H24FNO3S
MOLECULAR WEIGHT: 389.483563
SMILES: CC(C)C1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=CC=C3F
Structure:
CAS RN: 4551-99-9
CAS Name: 3-[2-(1-adamantyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]-2-indolone
OPENEYE Name: 3-[2-(1-adamantyl)-2-oxo-ethyl]-5-chloro-3-hydroxy-1-(p-tolylmethyl)indolin-2-one
IUPAC Name: 3-[2-(1-adamantyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one
SYSTEMATIC NAME: 3-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-5-chloranyl-1-[(4-methylphenyl)methyl]-3-oxidanyl-indol-2-one
MOLECULAR FORMULA: C28H30ClNO3
MOLECULAR WEIGHT: 463.9957
SMILES: CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(C2=O)(CC(=O)C45CC6CC(C4)CC(C6)C5)O
Structure:
CAS RN: 4547-09-5
CAS Name: N'-[[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
OPENEYE Name: N'-[[4-(2-anilino-2-oxo-ethoxy)-3-methoxy-phenyl]methyleneamino]-N-(4-methoxyphenyl)oxamide
IUPAC Name: N'-[[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
SYSTEMATIC NAME: N'-[[3-methoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)ethanediamide
MOLECULAR FORMULA: C25H24N4O6
MOLECULAR WEIGHT: 476.48126
SMILES: COC1=CC=C(C=C1)NC(=O)C(=O)NN=CC2=CC(=C(C=C2)OCC(=O)NC3=CC=CC=C3)OC
Structure:
CAS RN: 6260-94-2
CAS Name: 4-methyl-N-[4-[2-[[(4-methylphenyl)-oxomethyl]amino]-4-thiazolyl]-2-thiazolyl]benzamide
OPENEYE Name: 4-methyl-N-[4-[2-[(4-methylbenzoyl)amino]thiazol-4-yl]thiazol-2-yl]benzamide
IUPAC Name: 4-methyl-N-[4-[2-[(4-methylbenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
SYSTEMATIC NAME: 4-methyl-N-[4-[2-[(4-methylphenyl)carbonylamino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
MOLECULAR FORMULA: C22H18N4O2S2
MOLECULAR WEIGHT: 434.53392
SMILES: CC1=CC=C(C=C1)C(=O)NC2=NC(=CS2)C3=CSC(=N3)NC(=O)C4=CC=C(C=C4)C
Structure:
CAS RN: 1024537-81-2
CAS Name: 2-methyl-3-(4-methyl-1-piperazinyl)propanoic acid ethyl ester
OPENEYE Name: ethyl 2-methyl-3-(4-methylpiperazin-1-yl)propanoate
IUPAC Name: ethyl 2-methyl-3-(4-methylpiperazin-1-yl)propanoate
SYSTEMATIC NAME: ethyl 2-methyl-3-(4-methylpiperazin-1-yl)propanoate
MOLECULAR FORMULA: C11H22N2O2
MOLECULAR WEIGHT: 214.30458
SMILES: CCOC(=O)C(C)CN1CCN(CC1)C
Structure:
CAS RN: 6814-72-8
CAS Name: 2-methyl-3-(4-morpholin-4-iumyl)propanoic acid ethyl ester
OPENEYE Name: ethyl 2-methyl-3-morpholin-4-ium-4-yl-propanoate
IUPAC Name: ethyl 2-methyl-3-morpholin-4-ium-4-ylpropanoate
SYSTEMATIC NAME: ethyl 2-methyl-3-morpholin-4-ium-4-yl-propanoate
MOLECULAR FORMULA: C10H20NO3+
MOLECULAR WEIGHT: 202.2707
SMILES: CCOC(=O)C(C)C[NH+]1CCOCC1
Structure:
CAS RN: 5487-46-7
CAS Name: 4-[(3-bromo-4-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
OPENEYE Name: 4-[(3-bromo-4-methoxy-5-nitro-phenyl)methylene]-1-phenyl-pyrazolidine-3,5-dione
IUPAC Name: 4-[(3-bromo-4-methoxy-5-nitrophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
SYSTEMATIC NAME: 4-[(3-bromanyl-4-methoxy-5-nitro-phenyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione
MOLECULAR FORMULA: C17H12BrN3O5
MOLECULAR WEIGHT: 418.19828
SMILES: COC1=C(C=C(C=C1Br)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)[N+](=O)[O-]
Structure:
CAS RN: 5082-56-4
CAS Name: N-(3-methylphenyl)-5-oxo-2-pyrrolidinecarboxamide
OPENEYE Name: N-(m-tolyl)-5-oxo-pyrrolidine-2-carboxamide
IUPAC Name: N-(3-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SYSTEMATIC NAME: N-(3-methylphenyl)-5-oxidanylidene-pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C12H14N2O2
MOLECULAR WEIGHT: 218.25176
SMILES: CC1=CC(=CC=C1)NC(=O)C2CCC(=O)N2
Structure:
CAS RN: 6724-17-0
CAS Name: 4-[3-(phenoxymethyl)-5-phenyl-1,2,4-triazol-4-yl]pyridine
OPENEYE Name: 4-[3-(phenoxymethyl)-5-phenyl-1,2,4-triazol-4-yl]pyridine
IUPAC Name: 4-[3-(phenoxymethyl)-5-phenyl-1,2,4-triazol-4-yl]pyridine
SYSTEMATIC NAME: 4-[3-(phenoxymethyl)-5-phenyl-1,2,4-triazol-4-yl]pyridine
MOLECULAR FORMULA: C20H16N4O
MOLECULAR WEIGHT: 328.36724
SMILES: C1=CC=C(C=C1)C2=NN=C(N2C3=CC=NC=C3)COC4=CC=CC=C4
Structure:
CAS RN: 6724-16-9
CAS Name: 5-[(2-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-4-one
OPENEYE Name: 5-[(2-methoxyphenyl)methylene]-2-phenyl-1H-imidazol-4-one
IUPAC Name: 5-[(2-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-4-one
SYSTEMATIC NAME: 5-[(2-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-4-one
MOLECULAR FORMULA: C17H14N2O2
MOLECULAR WEIGHT: 278.30526
SMILES: COC1=CC=CC=C1C=C2C(=O)N=C(N2)C3=CC=CC=C3
Structure:
CAS RN: 5606-36-0
CAS Name: 2-[bis(prop-2-enyl)amino]anthracene-9,10-dione
OPENEYE Name: 2-(diallylamino)anthracene-9,10-dione
IUPAC Name: 2-[bis(prop-2-enyl)amino]anthracene-9,10-dione
SYSTEMATIC NAME: 2-[bis(prop-2-enyl)amino]anthracene-9,10-dione
MOLECULAR FORMULA: C20H17NO2
MOLECULAR WEIGHT: 303.35448
SMILES: C=CCN(CC=C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 5496-40-2
CAS Name: 1-[5-(4-ethoxyphenyl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
OPENEYE Name: 1-[5-(4-ethoxyphenyl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
IUPAC Name: 1-[5-(4-ethoxyphenyl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
SYSTEMATIC NAME: 1-[5-(4-ethoxyphenyl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
MOLECULAR FORMULA: C19H20N2O3
MOLECULAR WEIGHT: 324.3737
SMILES: CCOC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)O)C(=O)C
Structure:
CAS RN: 6791-08-8
CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[6-(4-morpholinyl)-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]methyl]benzamide
OPENEYE Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(6-morpholino-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]benzamide
IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(6-morpholin-4-yl-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)-4-[(6-morpholin-4-yl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide
MOLECULAR FORMULA: C28H26N4O5S
MOLECULAR WEIGHT: 530.59484
SMILES: C1COCCN1C2=CC3=C(C=C2)NC(=S)N(C3=O)CC4=CC=C(C=C4)C(=O)NCC5=CC6=C(C=C5)OCO6
Structure:
CAS RN: 6722-82-3
CAS Name: 2-(2-furanyl)-7-methoxy-5,5-dimethyl-3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
OPENEYE Name: 2-(2-furyl)-7-methoxy-5,5-dimethyl-3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
IUPAC Name: 2-(furan-2-yl)-7-methoxy-5,5-dimethyl-3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
SYSTEMATIC NAME: 2-(furan-2-yl)-7-methoxy-5,5-dimethyl-3,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
MOLECULAR FORMULA: C17H18N2O3
MOLECULAR WEIGHT: 298.33642
SMILES: CC1(N2C(C=C(N2)C3=CC=CO3)C4=C(O1)C(=CC=C4)OC)C
Structure:
CAS RN: 6672-60-2
CAS Name: 4-[(4-chlorophenoxy)methyl]-2-(4-phenylphenyl)-1,3-dioxolane
OPENEYE Name: 4-[(4-chlorophenoxy)methyl]-2-(4-phenylphenyl)-1,3-dioxolane
IUPAC Name: 4-[(4-chlorophenoxy)methyl]-2-(4-phenylphenyl)-1,3-dioxolane
SYSTEMATIC NAME: 4-[(4-chloranylphenoxy)methyl]-2-(4-phenylphenyl)-1,3-dioxolane
MOLECULAR FORMULA: C22H19ClO3
MOLECULAR WEIGHT: 366.83746
SMILES: C1C(OC(O1)C2=CC=C(C=C2)C3=CC=CC=C3)COC4=CC=C(C=C4)Cl
Structure:
CAS RN: 5889-42-9
CAS Name: 2-(4-methyl-1-piperidinyl)-N-[3-(4-morpholinyl)propyl]-5-[(1-oxo-3-phenylprop-2-enyl)amino]benzamide
OPENEYE Name: 2-(4-methyl-1-piperidyl)-N-(3-morpholinopropyl)-5-(3-phenylprop-2-enoylamino)benzamide
IUPAC Name: 2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-(3-phenylprop-2-enoylamino)benzamide
SYSTEMATIC NAME: 2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-(3-phenylprop-2-enoylamino)benzamide
MOLECULAR FORMULA: C29H38N4O3
MOLECULAR WEIGHT: 490.63702
SMILES: CC1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C=CC3=CC=CC=C3)C(=O)NCCCN4CCOCC4
Structure:
CAS RN: 4595-66-8
CAS Name: 2-[(1,1-dioxo-3-thiolanyl)sulfonyl]acetic acid methyl ester
OPENEYE Name: methyl 2-(1,1-dioxothiolan-3-yl)sulfonylacetate
IUPAC Name: methyl 2-(1,1-dioxothiolan-3-yl)sulfonylacetate
SYSTEMATIC NAME: methyl 2-[1,1-bis(oxidanylidene)thiolan-3-yl]sulfonylethanoate
MOLECULAR FORMULA: C7H12O6S2
MOLECULAR WEIGHT: 256.29658
SMILES: COC(=O)CS(=O)(=O)C1CCS(=O)(=O)C1
Structure:
CAS RN: 4854-79-9
CAS Name: 6-(4-ethyl-1-piperazinyl)-1,4-dimethyl-5-[(3-methyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-2-oxo-3-pyridinecarbonitrile
OPENEYE Name: 6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-5-[(3-methyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2-oxo-pyridine-3-carbonitrile
IUPAC Name: 6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxopyridine-3-carbonitrile
SYSTEMATIC NAME: 6-(4-ethylpiperazin-1-yl)-1,4-dimethyl-5-[(3-methyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxidanylidene-pyridine-3-carbonitrile
MOLECULAR FORMULA: C19H23N5O2S2
MOLECULAR WEIGHT: 417.54822
SMILES: CCN1CCN(CC1)C2=C(C(=C(C(=O)N2C)C#N)C)C=C3C(=O)N(C(=S)S3)C
Structure:
CAS RN: 7226-31-5
CAS Name: ethane-1,1-diol; manganese; N-[(1-methyl-2-imidazolidin-3-idyl)methyl]-1-(2-piperidin-1-idyl)-N-(2-piperidin-1-idylmethyl)methanamine; N-[(1-methyl-2-imidazolidin-3-idyl)methyl]-1-(2-piperidin-1-idyl)-N-(2H-pyridin-1-id-2-ylmethyl)methanamine
OPENEYE Name: ethane-1,1-diol; manganese; N-[(1-methylimidazolidin-3-id-2-yl)methyl]-1-piperidin-1-id-2-yl-N-(piperidin-1-id-2-ylmethyl)methanamine; N-[(1-methylimidazolidin-3-id-2-yl)methyl]-1-piperidin-1-id-2-yl-N-(2H-pyridin-1-id-2-ylmethyl)methanamine
IUPAC Name: ethane-1,1-diol; manganese; N-[(1-methylimidazolidin-3-id-2-yl)methyl]-1-piperidin-1-id-2-yl-N-(piperidin-1-id-2-ylmethyl)methanamine; N-[(1-methylimidazolidin-3-id-2-yl)methyl]-1-piperidin-1-id-2-yl-N-(2H-pyridin-1-id-2-ylmethyl)methanamine
SYSTEMATIC NAME: ethane-1,1-diol; manganese; N-[(1-methylimidazolidin-3-id-2-yl)methyl]-1-piperidin-1-id-2-yl-N-(piperidin-1-id-2-ylmethyl)methanamine; N-[(1-methylimidazolidin-3-id-2-yl)methyl]-1-piperidin-1-id-2-yl-N-(2H-pyridin-1-id-2-ylmethyl)methanamine
MOLECULAR FORMULA: C38H72Mn2N10O4-6
MOLECULAR WEIGHT: 842.918978
SMILES: CC(O)O.CC(O)O.CN1CC[N-]C1CN(CC2CCCC[N-]2)CC3CCCC[N-]3.CN1CC[N-]C1CN(CC2CCCC[N-]2)CC3C=CC=C[N-]3.[Mn].[Mn]
Structure:
CAS RN: 7226-30-4
CAS Name: N-[(6-bromo-2H-pyridin-1-id-2-yl)methyl]-1-(2-piperidin-1-idyl)-N-(2-piperidin-1-idylmethyl)methanamine; dichloroiron
OPENEYE Name: N-[(6-bromo-2H-pyridin-1-id-2-yl)methyl]-1-piperidin-1-id-2-yl-N-(piperidin-1-id-2-ylmethyl)methanamine; dichloroiron
IUPAC Name: N-[(6-bromo-2H-pyridin-1-id-2-yl)methyl]-1-piperidin-1-id-2-yl-N-(piperidin-1-id-2-ylmethyl)methanamine; dichloroiron
SYSTEMATIC NAME: bis(chloranyl)iron; N-[(6-bromanyl-2H-pyridin-1-id-2-yl)methyl]-1-piperidin-1-id-2-yl-N-(piperidin-1-id-2-ylmethyl)methanamine
MOLECULAR FORMULA: C18H28BrCl2FeN4-3
MOLECULAR WEIGHT: 507.09672
SMILES: C1CC[N-]C(C1)CN(CC2CCCC[N-]2)CC3C=CC=C([N-]3)Br.Cl[Fe]Cl
Structure:
CAS RN: 4671-44-7
CAS Name: cobalt(2+); 3-(2-ethoxyphenyl)imino-1-phenyl-1-propene-1-thiolate
OPENEYE Name: cobaltous 3-(2-ethoxyphenyl)imino-1-phenyl-prop-1-ene-1-thiolate
IUPAC Name: cobalt(2+); 3-(2-ethoxyphenyl)imino-1-phenylprop-1-ene-1-thiolate
SYSTEMATIC NAME: cobalt(2+); 3-(2-ethoxyphenyl)imino-1-phenyl-prop-1-ene-1-thiolate
MOLECULAR FORMULA: C34H32CoN2O2S2
MOLECULAR WEIGHT: 623.69328
SMILES: CCOC1=CC=CC=C1N=CC=C(C2=CC=CC=C2)[S-].CCOC1=CC=CC=C1N=CC=C(C2=CC=CC=C2)[S-].[Co+2]
Structure:
CAS RN: 4667-15-6
CAS Name: 1-ethoxy-2-[[1-(4-methylphenyl)-4,6-diphenyl-2-pyridin-1-iumyl]thio]ethenolate
OPENEYE Name: 2-[4,6-diphenyl-1-(p-tolyl)pyridin-1-ium-2-yl]sulfanyl-1-ethoxy-ethenolate
IUPAC Name: 1-ethoxy-2-[1-(4-methylphenyl)-4,6-diphenylpyridin-1-ium-2-yl]sulfanylethenolate
SYSTEMATIC NAME: 1-ethoxy-2-[1-(4-methylphenyl)-4,6-diphenyl-pyridin-1-ium-2-yl]sulfanyl-ethenolate
MOLECULAR FORMULA: C28H25NO2S
MOLECULAR WEIGHT: 439.5686
SMILES: CCOC(=CSC1=CC(=CC(=[N+]1C2=CC=C(C=C2)C)C3=CC=CC=C3)C4=CC=CC=C4)[O-]
Structure:
CAS RN: 5322-05-4
CAS Name: 2-(2-fluorophenyl)-3-[3-iodo-4-[(4-nitrophenyl)methoxy]phenyl]-2-propenenitrile
OPENEYE Name: 2-(2-fluorophenyl)-3-[3-iodo-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile
IUPAC Name: 2-(2-fluorophenyl)-3-[3-iodo-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile
SYSTEMATIC NAME: 2-(2-fluorophenyl)-3-[3-iodanyl-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile
MOLECULAR FORMULA: C22H14FIN2O3
MOLECULAR WEIGHT: 500.261033
SMILES: C1=CC=C(C(=C1)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])I)C#N)F
Structure:
CAS RN: 5318-98-9
CAS Name: N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide
OPENEYE Name: N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyleneamino]-4-nitro-benzamide
IUPAC Name: N-[[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide
SYSTEMATIC NAME: N-[[3-bromanyl-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-nitro-benzamide
MOLECULAR FORMULA: C22H17BrN4O7
MOLECULAR WEIGHT: 529.29698
SMILES: COC1=C(C(=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br)OCC3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 4645-55-0
CAS Name: 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-propan-2-yloxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-isopropoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
IUPAC Name: tert-butyl 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-propan-2-yloxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
SYSTEMATIC NAME: tert-butyl 6-azanyl-5,7,7-tricyano-8-(3-ethoxy-4-propan-2-yloxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
MOLECULAR FORMULA: C28H33N5O4
MOLECULAR WEIGHT: 503.59272
SMILES: CCOC1=C(C=CC(=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OC(C)(C)C)OC(C)C
Structure:
CAS RN: 5481-56-1
CAS Name: 2-[3-(4-bromophenyl)-2,5-dioxo-1-imidazolidinyl]-N-(4-phenyl-2-thiazolyl)acetamide
OPENEYE Name: 2-[3-(4-bromophenyl)-2,5-dioxo-imidazolidin-1-yl]-N-(4-phenylthiazol-2-yl)acetamide
IUPAC Name: 2-[3-(4-bromophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SYSTEMATIC NAME: 2-[3-(4-bromophenyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)ethanamide
MOLECULAR FORMULA: C20H15BrN4O3S
MOLECULAR WEIGHT: 471.3271
SMILES: C1C(=O)N(C(=O)N1C2=CC=C(C=C2)Br)CC(=O)NC3=NC(=CS3)C4=CC=CC=C4
Structure:
CAS RN: 5127-73-1
CAS Name: 1-[(2,6-dimethoxyphenyl)-(2,4-dimethylphenyl)methyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: 1-[(2,6-dimethoxyphenyl)-(2,4-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
IUPAC Name: 1-[(2,6-dimethoxyphenyl)-(2,4-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-[(2,6-dimethoxyphenyl)-(2,4-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C22H27NO4
MOLECULAR WEIGHT: 369.45408
SMILES: CC1=CC(=C(C=C1)C(C2=C(C=CC=C2OC)OC)N3CCCC3C(=O)O)C
Structure:
CAS RN: 5125-27-9
CAS Name: 1-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: 1-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
IUPAC Name: 1-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C19H17F4NO2
MOLECULAR WEIGHT: 367.337393
SMILES: C1CC(N(C1)C(C2=CC=C(C=C2)F)C3=CC(=CC=C3)C(F)(F)F)C(=O)O
Structure:
CAS RN: 5659-02-9
CAS Name: [1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(3-pyridinyl)-3-pyrrolidinylidene]-(4-fluorophenyl)methanolate
OPENEYE Name: [1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(3-pyridyl)pyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate
IUPAC Name: [1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate
SYSTEMATIC NAME: [1-[2-(diethylazaniumyl)ethyl]-4,5-bis(oxidanylidene)-2-pyridin-3-yl-pyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate
MOLECULAR FORMULA: C22H24FN3O3
MOLECULAR WEIGHT: 397.442663
SMILES: CC[NH+](CC)CCN1C(C(=C(C2=CC=C(C=C2)F)[O-])C(=O)C1=O)C3=CN=CC=C3
Structure:
CAS RN: 5503-99-1
CAS Name: 3-ethoxy-4-hexoxybenzaldehyde
OPENEYE Name: 3-ethoxy-4-hexoxy-benzaldehyde
IUPAC Name: 3-ethoxy-4-hexoxybenzaldehyde
SYSTEMATIC NAME: 3-ethoxy-4-hexoxy-benzaldehyde
MOLECULAR FORMULA: C15H22O3
MOLECULAR WEIGHT: 250.33338
SMILES: CCCCCCOC1=C(C=C(C=C1)C=O)OCC
Structure:
CAS RN: 5646-26-4
CAS Name: (4-fluorophenyl)-[2-methyl-1-[[(3,5,6-trichloro-2-pyridinyl)hydrazinylidene]methyl]-3-indolizinyl]methanone
OPENEYE Name: (4-fluorophenyl)-[2-methyl-1-[[(3,5,6-trichloro-2-pyridyl)hydrazono]methyl]indolizin-3-yl]methanone
IUPAC Name: (4-fluorophenyl)-[2-methyl-1-[[(3,5,6-trichloropyridin-2-yl)hydrazinylidene]methyl]indolizin-3-yl]methanone
SYSTEMATIC NAME: (4-fluorophenyl)-[2-methyl-1-[[[3,5,6-tris(chloranyl)pyridin-2-yl]hydrazinylidene]methyl]indolizin-3-yl]methanone
MOLECULAR FORMULA: C22H14Cl3FN4O
MOLECULAR WEIGHT: 475.730163
SMILES: CC1=C(N2C=CC=CC2=C1C=NNC3=NC(=C(C=C3Cl)Cl)Cl)C(=O)C4=CC=C(C=C4)F
Structure:
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