CAS RN: 27058-18-0
CAS Name: [4-(1H-indol-3-yl)-4H-pyridin-1-yl]-phenylmethanone
OPENEYE Name: [4-(1H-indol-3-yl)-4H-pyridin-1-yl]-phenyl-methanone
IUPAC Name: [4-(1H-indol-3-yl)-4H-pyridin-1-yl]-phenylmethanone
SYSTEMATIC NAME: [4-(1H-indol-3-yl)-4H-pyridin-1-yl]-phenyl-methanone
MOLECULAR FORMULA: C20H16N2O
MOLECULAR WEIGHT: 300.35384
SMILES: C1=CC=C(C=C1)C(=O)N2C=CC(C=C2)C3=CNC4=CC=CC=C43
Structure:
CAS RN: 66556-78-3
CAS Name: 2-hydroxy-3-[(1S)-1-(4-nitrophenyl)-3-oxobutyl]-1-benzopyran-4-one
OPENEYE Name: 2-hydroxy-3-[(1S)-1-(4-nitrophenyl)-3-oxo-butyl]chromen-4-one
IUPAC Name: 2-hydroxy-3-[(1S)-1-(4-nitrophenyl)-3-oxobutyl]chromen-4-one
SYSTEMATIC NAME: 3-[(1S)-1-(4-nitrophenyl)-3-oxidanylidene-butyl]-2-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C19H15NO6
MOLECULAR WEIGHT: 353.3255
SMILES: CC(=O)C[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])C2=C(OC3=CC=CC=C3C2=O)O
Structure:
CAS RN: 3313-26-6
CAS Name: (9Z)-N,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-2-thioxanthenesulfonamide
OPENEYE Name: (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide
IUPAC Name: (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide
SYSTEMATIC NAME: (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide
MOLECULAR FORMULA: C23H29N3O2S2
MOLECULAR WEIGHT: 443.62526
SMILES: CN1CCN(CC1)CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C
Structure:
CAS RN: 5591-45-7
CAS Name: (9Z)-N,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-2-thioxanthenesulfonamide
OPENEYE Name: (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide
IUPAC Name: (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide
SYSTEMATIC NAME: (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide
MOLECULAR FORMULA: C23H29N3O2S2
MOLECULAR WEIGHT: 443.62526
SMILES: CN1CCN(CC1)CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C
Structure:
CAS RN: 3313-27-7
CAS Name: (9Z)-N,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-2-thioxanthenesulfonamide
OPENEYE Name: (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide
IUPAC Name: (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide
SYSTEMATIC NAME: (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide
MOLECULAR FORMULA: C23H29N3O2S2
MOLECULAR WEIGHT: 443.62526
SMILES: CN1CCN(CC1)CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C
Structure:
CAS RN: 5591-45-7
CAS Name: (9E)-N,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-2-thioxanthenesulfonamide
OPENEYE Name: (9E)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide
IUPAC Name: (9E)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide
SYSTEMATIC NAME: (9E)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide
MOLECULAR FORMULA: C23H29N3O2S2
MOLECULAR WEIGHT: 443.62526
SMILES: CN1CCN(CC1)CC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C
Structure:
CAS RN: 3313-27-7
CAS Name: (9E)-N,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-2-thioxanthenesulfonamide
OPENEYE Name: (9E)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide
IUPAC Name: (9E)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide
SYSTEMATIC NAME: (9E)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide
MOLECULAR FORMULA: C23H29N3O2S2
MOLECULAR WEIGHT: 443.62526
SMILES: CN1CCN(CC1)CC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C
Structure:
CAS RN: 5268-34-8
CAS Name: 6-[(2-fluorophenyl)methoxy]-2-(pyridin-4-ylmethylidene)-3-benzofuranone
OPENEYE Name: 6-[(2-fluorophenyl)methoxy]-2-(4-pyridylmethylene)benzofuran-3-one
IUPAC Name: 6-[(2-fluorophenyl)methoxy]-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one
SYSTEMATIC NAME: 6-[(2-fluorophenyl)methoxy]-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one
MOLECULAR FORMULA: C21H14FNO3
MOLECULAR WEIGHT: 347.339163
SMILES: C1=CC=C(C(=C1)COC2=CC3=C(C=C2)C(=O)C(=CC4=CC=NC=C4)O3)F
Structure:
CAS RN: 5267-92-5
CAS Name: N-(2-chlorophenyl)-5-(4-nitrophenyl)-2-furancarboxamide
OPENEYE Name: N-(2-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
IUPAC Name: N-(2-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
SYSTEMATIC NAME: N-(2-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
MOLECULAR FORMULA: C17H11ClN2O4
MOLECULAR WEIGHT: 342.73324
SMILES: C1=CC=C(C(=C1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])Cl
Structure:
CAS RN: 17308-02-0
CAS Name: acetic acid [(8R,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(8R,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(8R,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(8R,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C23H32O4
MOLECULAR WEIGHT: 372.49778
SMILES: CC(=O)[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)OC(=O)C
Structure:
CAS RN: 52468-60-7
CAS Name: 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
OPENEYE Name: 1-[bis(4-fluorophenyl)methyl]-4-[(E)-cinnamyl]piperazine
IUPAC Name: 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SYSTEMATIC NAME: 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
MOLECULAR FORMULA: C26H26F2N2
MOLECULAR WEIGHT: 404.494846
SMILES: C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
Structure:
CAS RN: 5343-57-7
CAS Name: 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
OPENEYE Name: 1-[bis(4-fluorophenyl)methyl]-4-[(E)-cinnamyl]piperazine
IUPAC Name: 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SYSTEMATIC NAME: 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
MOLECULAR FORMULA: C26H26F2N2
MOLECULAR WEIGHT: 404.494846
SMILES: C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
Structure:
CAS RN: 40218-96-0
CAS Name: 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
OPENEYE Name: 1-[bis(4-fluorophenyl)methyl]-4-[(E)-cinnamyl]piperazine
IUPAC Name: 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SYSTEMATIC NAME: 1-[bis(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
MOLECULAR FORMULA: C26H26F2N2
MOLECULAR WEIGHT: 404.494846
SMILES: C1CN(CCN1C/C=C/C2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
Structure:
CAS RN: 5069-79-4
CAS Name: 6-[(4-methylphenyl)methylthio]-7H-purin-2-amine
OPENEYE Name: 6-(p-tolylmethylsulfanyl)-7H-purin-2-amine
IUPAC Name: 6-[(4-methylphenyl)methylsulfanyl]-7H-purin-2-amine
SYSTEMATIC NAME: 6-[(4-methylphenyl)methylsulfanyl]-7H-purin-2-amine
MOLECULAR FORMULA: C13H13N5S
MOLECULAR WEIGHT: 271.34082
SMILES: CC1=CC=C(C=C1)CSC2=NC(=NC3=C2NC=N3)N
Structure:
CAS RN: 890006-82-3
CAS Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
OPENEYE Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
IUPAC Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
SYSTEMATIC NAME: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
MOLECULAR FORMULA: C10H7FN2O2
MOLECULAR WEIGHT: 206.173183
SMILES: C1=CC(=CC=C1C2=NNC(=C2)C(=O)O)F
Structure:
CAS RN: 4510-35-4
CAS Name: N4-(2-furanylmethyl)-N2-(4-methoxyphenyl)quinazoline-2,4-diamine
OPENEYE Name: N4-(2-furylmethyl)-N2-(4-methoxyphenyl)quinazoline-2,4-diamine
IUPAC Name: 4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)quinazoline-2,4-diamine
SYSTEMATIC NAME: N4-(furan-2-ylmethyl)-N2-(4-methoxyphenyl)quinazoline-2,4-diamine
MOLECULAR FORMULA: C20H18N4O2
MOLECULAR WEIGHT: 346.38252
SMILES: COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CO4
Structure:
CAS RN: 1136-60-3
CAS Name: (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methanol
OPENEYE Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methanol
IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanol
SYSTEMATIC NAME: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methanol
MOLECULAR FORMULA: C11H11ClN2O
MOLECULAR WEIGHT: 222.67084
SMILES: CC1=NN(C(=C1CO)Cl)C2=CC=CC=C2
Structure:
CAS RN: 90945-94-1
CAS Name: 2-methyl-1H-quinoline-4-thione
OPENEYE Name: 2-methyl-1H-quinoline-4-thione
IUPAC Name: 2-methyl-1H-quinoline-4-thione
SYSTEMATIC NAME: 2-methyl-1H-quinoline-4-thione
MOLECULAR FORMULA: C10H9NS
MOLECULAR WEIGHT: 175.25016
SMILES: CC1=CC(=S)C2=CC=CC=C2N1
Structure:
CAS RN: 218920-79-7
CAS Name: 2-(2-oxo-1-pyridinyl)acetonitrile
OPENEYE Name: 2-(2-oxo-1-pyridyl)acetonitrile
IUPAC Name: 2-(2-oxopyridin-1-yl)acetonitrile
SYSTEMATIC NAME: 2-(2-oxidanylidenepyridin-1-yl)ethanenitrile
MOLECULAR FORMULA: C7H6N2O
MOLECULAR WEIGHT: 134.13534
SMILES: C1=CC(=O)N(C=C1)CC#N
Structure:
CAS RN: 58421-79-7
CAS Name: 4-chloro-6-methylquinazoline
OPENEYE Name: 4-chloro-6-methyl-quinazoline
IUPAC Name: 4-chloro-6-methylquinazoline
SYSTEMATIC NAME: 4-chloranyl-6-methyl-quinazoline
MOLECULAR FORMULA: C9H7ClN2
MOLECULAR WEIGHT: 178.61828
SMILES: CC1=CC2=C(C=C1)N=CN=C2Cl
Structure:
CAS RN: 4833-57-2
CAS Name: 3-(1-benzimidazolyl)-N-(1-phenylethylideneamino)propanamide
OPENEYE Name: 3-(benzimidazol-1-yl)-N-(1-phenylethylideneamino)propanamide
IUPAC Name: 3-(benzimidazol-1-yl)-N-(1-phenylethylideneamino)propanamide
SYSTEMATIC NAME: 3-(benzimidazol-1-yl)-N-(1-phenylethylideneamino)propanamide
MOLECULAR FORMULA: C18H18N4O
MOLECULAR WEIGHT: 306.36172
SMILES: CC(=NNC(=O)CCN1C=NC2=CC=CC=C21)C3=CC=CC=C3
Structure:
CAS RN: 97482-11-6
CAS Name: 3,4-dihydro-2H-pyrrol-5-ylurea
OPENEYE Name: 3,4-dihydro-2H-pyrrol-5-ylurea
IUPAC Name: 3,4-dihydro-2H-pyrrol-5-ylurea
SYSTEMATIC NAME: 1-(3,4-dihydro-2H-pyrrol-5-yl)urea
MOLECULAR FORMULA: C5H9N3O
MOLECULAR WEIGHT: 127.14446
SMILES: C1CC(=NC1)NC(=O)N
Structure:
CAS RN: 41295-62-9
CAS Name: 1-(chloromethyl)-3-benzo[f][1]benzopyranone
OPENEYE Name: 1-(chloromethyl)benzo[f]chromen-3-one
IUPAC Name: 1-(chloromethyl)benzo[f]chromen-3-one
SYSTEMATIC NAME: 1-(chloromethyl)benzo[f]chromen-3-one
MOLECULAR FORMULA: C14H9ClO2
MOLECULAR WEIGHT: 244.67306
SMILES: C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)CCl
Structure:
CAS RN: 119750-12-8
CAS Name: 2-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
OPENEYE Name: 2-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
IUPAC Name: 2-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
SYSTEMATIC NAME: 2-chloranyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethanamide
MOLECULAR FORMULA: C11H12ClNO3
MOLECULAR WEIGHT: 241.67088
SMILES: C1[C@@H](OC2=CC=CC=C2O1)CNC(=O)CCl
Structure:
CAS RN: 4898-90-2
CAS Name: 1-[(4-nitrophenyl)methyl]-3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
OPENEYE Name: 1-[(4-nitrophenyl)methyl]-3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
IUPAC Name: 1-[(4-nitrophenyl)methyl]-3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
SYSTEMATIC NAME: 1-[(4-nitrophenyl)methyl]-3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
MOLECULAR FORMULA: C19H18N3O2+
MOLECULAR WEIGHT: 320.36512
SMILES: C1CC2=[N+](C=C(N2C1)C3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]
Structure:
CAS RN: 91646-45-6
CAS Name: 1-[4-(2-aminophenyl)-1-piperazinyl]ethanone
OPENEYE Name: 1-[4-(2-aminophenyl)piperazin-1-yl]ethanone
IUPAC Name: 1-[4-(2-aminophenyl)piperazin-1-yl]ethanone
SYSTEMATIC NAME: 1-[4-(2-aminophenyl)piperazin-1-yl]ethanone
MOLECULAR FORMULA: C12H17N3O
MOLECULAR WEIGHT: 219.28288
SMILES: CC(=O)N1CCN(CC1)C2=CC=CC=C2N
Structure:
CAS RN: 1658-27-1
CAS Name: 7,11-dioxaspiro[5.5]undecane-8,10-dione
OPENEYE Name: 7,11-dioxaspiro[5.5]undecane-8,10-dione
IUPAC Name: 7,11-dioxaspiro[5.5]undecane-8,10-dione
SYSTEMATIC NAME: 7,11-dioxaspiro[5.5]undecane-8,10-dione
MOLECULAR FORMULA: C9H12O4
MOLECULAR WEIGHT: 184.18918
SMILES: C1CCC2(CC1)OC(=O)CC(=O)O2
Structure:
CAS RN: 10242-10-1
CAS Name: 5-chloro-2-benzofurancarboxylic acid
OPENEYE Name: 5-chlorobenzofuran-2-carboxylic acid
IUPAC Name: 5-chloro-1-benzofuran-2-carboxylic acid
SYSTEMATIC NAME: 5-chloranyl-1-benzofuran-2-carboxylic acid
MOLECULAR FORMULA: C9H5ClO3
MOLECULAR WEIGHT: 196.5872
SMILES: C1=CC2=C(C=C1Cl)C=C(O2)C(=O)O
Structure:
CAS RN: 5604-83-1
CAS Name: 3-(1,3-dihydroisoindol-2-yl)benzoic acid
OPENEYE Name: 3-isoindolin-2-ylbenzoic acid
IUPAC Name: 3-(1,3-dihydroisoindol-2-yl)benzoic acid
SYSTEMATIC NAME: 3-(1,3-dihydroisoindol-2-yl)benzoic acid
MOLECULAR FORMULA: C15H13NO2
MOLECULAR WEIGHT: 239.26922
SMILES: C1C2=CC=CC=C2CN1C3=CC=CC(=C3)C(=O)O
Structure:
CAS RN: 21627-58-7
CAS Name: 2-(1-pyrrolidinyl)aniline
OPENEYE Name: 2-pyrrolidin-1-ylaniline
IUPAC Name: 2-pyrrolidin-1-ylaniline
SYSTEMATIC NAME: 2-pyrrolidin-1-ylaniline
MOLECULAR FORMULA: C10H14N2
MOLECULAR WEIGHT: 162.23156
SMILES: C1CCN(C1)C2=CC=CC=C2N
Structure:
CAS RN: 30163-82-7
CAS Name: 3-(2-methyl-1-benzimidazolyl)propanoic acid
OPENEYE Name: 3-(2-methylbenzimidazol-1-yl)propanoic acid
IUPAC Name: 3-(2-methylbenzimidazol-1-yl)propanoic acid
SYSTEMATIC NAME: 3-(2-methylbenzimidazol-1-yl)propanoic acid
MOLECULAR FORMULA: C11H12N2O2
MOLECULAR WEIGHT: 204.22518
SMILES: CC1=NC2=CC=CC=C2N1CCC(=O)O
Structure:
CAS RN: 115619-01-7
CAS Name: 4-(4-ethyl-1-piperazinyl)aniline
OPENEYE Name: 4-(4-ethylpiperazin-1-yl)aniline
IUPAC Name: 4-(4-ethylpiperazin-1-yl)aniline
SYSTEMATIC NAME: 4-(4-ethylpiperazin-1-yl)aniline
MOLECULAR FORMULA: C12H19N3
MOLECULAR WEIGHT: 205.29936
SMILES: CCN1CCN(CC1)C2=CC=C(C=C2)N
Structure:
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