CAS RN: 6918-05-4
CAS Name: methyl-[[4-[oxo-(propan-2-ylamino)methyl]phenyl]methylamino]ammonium
OPENEYE Name: [[4-(isopropylcarbamoyl)phenyl]methylamino]-methyl-ammonium
IUPAC Name: methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azanium
SYSTEMATIC NAME: methyl-[[4-(propan-2-ylcarbamoyl)phenyl]methylamino]azanium
MOLECULAR FORMULA: C12H20N3O+
MOLECULAR WEIGHT: 222.3067
SMILES: CC(C)NC(=O)C1=CC=C(C=C1)CN[NH2+]C
Structure:
CAS RN: 6987-23-1
CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-[(4-chlorophenyl)methylideneamino]acetamide
OPENEYE Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-[(4-chlorophenyl)methyleneamino]acetamide
IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-[(4-chlorophenyl)methylideneamino]acetamide
SYSTEMATIC NAME: 2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-[(4-chlorophenyl)methylideneamino]ethanamide
MOLECULAR FORMULA: C17H16Cl2N2O2
MOLECULAR WEIGHT: 351.22714
SMILES: CC1=CC(=CC(=C1Cl)C)OCC(=O)NN=CC2=CC=C(C=C2)Cl
Structure:
CAS RN: 6938-72-3
CAS Name: 3-chlorobenzoic acid [4-[(2-chlorophenyl)-oxomethyl]azoanilino] ester
OPENEYE Name: [4-(2-chlorobenzoyl)azoanilino] 3-chlorobenzoate
IUPAC Name: [4-[(2-chlorobenzoyl)diazenyl]anilino] 3-chlorobenzoate
SYSTEMATIC NAME: [[4-[(2-chlorophenyl)carbonyldiazenyl]phenyl]amino] 3-chloranylbenzoate
MOLECULAR FORMULA: C20H13Cl2N3O3
MOLECULAR WEIGHT: 414.24152
SMILES: C1=CC=C(C(=C1)C(=O)N=NC2=CC=C(C=C2)NOC(=O)C3=CC(=CC=C3)Cl)Cl
Structure:
CAS RN: 6927-16-8
CAS Name: 6-amino-4-[3-[(3-chlorophenoxy)methyl]-4-methoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
OPENEYE Name: 6-amino-4-[3-[(3-chlorophenoxy)methyl]-4-methoxy-phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
IUPAC Name: 6-amino-4-[3-[(3-chlorophenoxy)methyl]-4-methoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SYSTEMATIC NAME: 6-azanyl-4-[3-[(3-chloranylphenoxy)methyl]-4-methoxy-phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
MOLECULAR FORMULA: C22H19ClN4O3
MOLECULAR WEIGHT: 422.86426
SMILES: CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)COC4=CC(=CC=C4)Cl
Structure:
CAS RN: 6978-73-0
CAS Name: 4-[[[[3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]benzoate
IUPAC Name: ethyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]benzoate
SYSTEMATIC NAME: ethyl 4-[3-(3,4-dimethoxyphenyl)prop-2-enoylcarbamothioylamino]benzoate
MOLECULAR FORMULA: C21H22N2O5S
MOLECULAR WEIGHT: 414.47478
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC(=C(C=C2)OC)OC
Structure:
CAS RN: 6978-72-9
CAS Name: 3-(3,4-dimethoxyphenyl)-N-[(4-methoxyanilino)-sulfanylidenemethyl]-2-propenamide
OPENEYE Name: 3-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)carbamothioyl]prop-2-enamide
IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)carbamothioyl]prop-2-enamide
SYSTEMATIC NAME: 3-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)carbamothioyl]prop-2-enamide
MOLECULAR FORMULA: C19H20N2O4S
MOLECULAR WEIGHT: 372.4381
SMILES: COC1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC(=C(C=C2)OC)OC
Structure:
CAS RN: 7018-57-7
CAS Name: 4-[(3-butoxyphenyl)-hydroxymethylidene]-5-[4-(dimethylamino)phenyl]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
OPENEYE Name: 4-[(3-butoxyphenyl)-hydroxy-methylene]-5-[4-(dimethylamino)phenyl]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
IUPAC Name: 4-[(3-butoxyphenyl)-hydroxymethylidene]-5-[4-(dimethylamino)phenyl]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
SYSTEMATIC NAME: 4-[(3-butoxyphenyl)-oxidanyl-methylidene]-5-[4-(dimethylamino)phenyl]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
MOLECULAR FORMULA: C31H31N3O4S
MOLECULAR WEIGHT: 541.66054
SMILES: CCCCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)C)C5=CC=C(C=C5)N(C)C)O
Structure:
CAS RN: 7027-14-7
CAS Name: N-[(2-chlorophenyl)methylideneamino]-4-[4-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]phenyl]-2-thiazolamine
OPENEYE Name: 4-[4-[(4-benzyl-1-piperidyl)sulfonyl]phenyl]-N-[(2-chlorophenyl)methyleneamino]thiazol-2-amine
IUPAC Name: 4-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]-N-[(2-chlorophenyl)methylideneamino]-1,3-thiazol-2-amine
SYSTEMATIC NAME: N-[(2-chlorophenyl)methylideneamino]-4-[4-[4-(phenylmethyl)piperidin-1-yl]sulfonylphenyl]-1,3-thiazol-2-amine
MOLECULAR FORMULA: C28H27ClN4O2S2
MOLECULAR WEIGHT: 551.12258
SMILES: C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C4=CSC(=N4)NN=CC5=CC=CC=C5Cl
Structure:
CAS RN: 7027-13-6
CAS Name: N,N-diethyl-4-[2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-4-thiazolyl]benzenesulfonamide
OPENEYE Name: N,N-diethyl-4-[2-[2-(2-thienylmethylene)hydrazino]thiazol-4-yl]benzenesulfonamide
IUPAC Name: N,N-diethyl-4-[2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide
SYSTEMATIC NAME: N,N-diethyl-4-[2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide
MOLECULAR FORMULA: C18H20N4O2S3
MOLECULAR WEIGHT: 420.572
SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)NN=CC3=CC=CS3
Structure:
CAS RN: 7007-12-7
CAS Name: N,N-diethylcarbamic acid (4-benzoylphenyl) ester
OPENEYE Name: (4-benzoylphenyl) N,N-diethylcarbamate
IUPAC Name: (4-benzoylphenyl) N,N-diethylcarbamate
SYSTEMATIC NAME: [4-(phenylcarbonyl)phenyl] N,N-diethylcarbamate
MOLECULAR FORMULA: C18H19NO3
MOLECULAR WEIGHT: 297.34836
SMILES: CCN(CC)C(=O)OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
Structure:
CAS RN: 313735-67-0
CAS Name: 1-propan-2-yl-4-pyrazolecarboxaldehyde
OPENEYE Name: 1-isopropylpyrazole-4-carbaldehyde
IUPAC Name: 1-propan-2-ylpyrazole-4-carbaldehyde
SYSTEMATIC NAME: 1-propan-2-ylpyrazole-4-carbaldehyde
MOLECULAR FORMULA: C7H10N2O
MOLECULAR WEIGHT: 138.1671
SMILES: CC(C)N1C=C(C=N1)C=O
Structure:
CAS RN: 7007-11-6
CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)butanoic acid
OPENEYE Name: 2-(3,5-dimethylpyrazol-1-yl)butanoic acid
IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)butanoic acid
SYSTEMATIC NAME: 2-(3,5-dimethylpyrazol-1-yl)butanoic acid
MOLECULAR FORMULA: C9H14N2O2
MOLECULAR WEIGHT: 182.21966
SMILES: CCC(C(=O)O)N1C(=CC(=N1)C)C
Structure:
CAS RN: 6918-04-3
CAS Name: 1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-3,4-dihydro-2H-quinoline-2-carboxylic acid
OPENEYE Name: 1-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-3,4-dihydro-2H-quinoline-2-carboxylic acid
IUPAC Name: 1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-3,4-dihydro-2H-quinoline-2-carboxylic acid
SYSTEMATIC NAME: 1-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-3,4-dihydro-2H-quinoline-2-carboxylic acid
MOLECULAR FORMULA: C25H30N2O5
MOLECULAR WEIGHT: 438.5161
SMILES: CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C(CCC3=CC=CC=C32)C(=O)O
Structure:
CAS RN: 6938-71-2
CAS Name: 2-methoxybenzoic acid [4-[(3-chlorophenyl)-oxomethyl]azoanilino] ester
OPENEYE Name: [4-(3-chlorobenzoyl)azoanilino] 2-methoxybenzoate
IUPAC Name: [4-[(3-chlorobenzoyl)diazenyl]anilino] 2-methoxybenzoate
SYSTEMATIC NAME: [[4-[(3-chlorophenyl)carbonyldiazenyl]phenyl]amino] 2-methoxybenzoate
MOLECULAR FORMULA: C21H16ClN3O4
MOLECULAR WEIGHT: 409.82244
SMILES: COC1=CC=CC=C1C(=O)ONC2=CC=C(C=C2)N=NC(=O)C3=CC(=CC=C3)Cl
Structure:
CAS RN: 6978-71-8
CAS Name: 3-(4-fluorophenyl)-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-2-propenamide
OPENEYE Name: 3-(4-fluorophenyl)-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]prop-2-enamide
IUPAC Name: 3-(4-fluorophenyl)-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]prop-2-enamide
SYSTEMATIC NAME: 3-(4-fluorophenyl)-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]prop-2-enamide
MOLECULAR FORMULA: C24H18FN3OS2
MOLECULAR WEIGHT: 447.547623
SMILES: CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C=CC4=CC=C(C=C4)F
Structure:
CAS RN: 6075-56-5
CAS Name: 8-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methyl-3-pyrazolyl]-6-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-6a-methyl-2-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
OPENEYE Name: 8-[5-(5-chloro-3-methyl-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]-6-[2-(4-hydroxy-3-methoxy-phenyl)vinyl]-6a-methyl-2-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC Name: 8-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methylpyrazol-3-yl]-6-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-6a-methyl-2-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 8-[5-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]-6-[2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-6a-methyl-2-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C43H37ClN4O6S
MOLECULAR WEIGHT: 773.29508
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)C5CC6C7C(CC=C6C(C5(C4=O)C)C=CC8=CC(=C(C=C8)O)OC)C(=O)N(C7=O)C9=CC=CC=C9)C
Structure:
CAS RN: 7018-56-6
CAS Name: 4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(4-propoxyphenyl)pyrrolidine-2,3-dione
OPENEYE Name: 4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(4-propoxyphenyl)pyrrolidine-2,3-dione
IUPAC Name: 4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(4-propoxyphenyl)pyrrolidine-2,3-dione
SYSTEMATIC NAME: 4-[(3-butoxyphenyl)-oxidanyl-methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(4-propoxyphenyl)pyrrolidine-2,3-dione
MOLECULAR FORMULA: C32H32N2O5S
MOLECULAR WEIGHT: 556.67188
SMILES: CCCCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)C)C5=CC=C(C=C5)OCCC)O
Structure:
CAS RN: 7018-55-5
CAS Name: 4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(4-tert-butylphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
OPENEYE Name: 4-[(3-butoxyphenyl)-hydroxy-methylene]-5-(4-tert-butylphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
IUPAC Name: 4-[(3-butoxyphenyl)-hydroxymethylidene]-5-(4-tert-butylphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
SYSTEMATIC NAME: 4-[(3-butoxyphenyl)-oxidanyl-methylidene]-5-(4-tert-butylphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
MOLECULAR FORMULA: C33H34N2O4S
MOLECULAR WEIGHT: 554.69906
SMILES: CCCCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)C)C5=CC=C(C=C5)C(C)(C)C)O
Structure:
CAS RN: 6987-20-8
CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-nitrophenyl)methylideneamino]acetamide
OPENEYE Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-[(3-nitrophenyl)methyleneamino]acetamide
IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-nitrophenyl)methylideneamino]acetamide
SYSTEMATIC NAME: 2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-[(3-nitrophenyl)methylideneamino]ethanamide
MOLECULAR FORMULA: C17H16ClN3O4
MOLECULAR WEIGHT: 361.77964
SMILES: CC1=CC(=CC(=C1Cl)C)OCC(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 6927-15-7
CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-6-(2-furanyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile
OPENEYE Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-6-(2-furyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-6-(furan-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
SYSTEMATIC NAME: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-6-(furan-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
MOLECULAR FORMULA: C23H21F3N2O2S
MOLECULAR WEIGHT: 446.48525
SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=C(C(=CC(=N4)C5=CC=CO5)C(F)(F)F)C#N
Structure:
CAS RN: 6927-14-6
CAS Name: 6-amino-3-(methoxymethyl)-1-(4-methylphenyl)-4-(3-pyridinyl)-2,4-dihydropyrano[2,3-c]pyrazol-1-ium-5-carbonitrile
OPENEYE Name: 6-amino-3-(methoxymethyl)-1-(p-tolyl)-4-(3-pyridyl)-2,4-dihydropyrano[2,3-c]pyrazol-1-ium-5-carbonitrile
IUPAC Name: 6-amino-3-(methoxymethyl)-1-(4-methylphenyl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazol-1-ium-5-carbonitrile
SYSTEMATIC NAME: 6-azanyl-3-(methoxymethyl)-1-(4-methylphenyl)-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazol-1-ium-5-carbonitrile
MOLECULAR FORMULA: C21H20N5O2+
MOLECULAR WEIGHT: 374.4158
SMILES: CC1=CC=C(C=C1)[N+]2=C3C(=C(N2)COC)C(C(=C(O3)N)C#N)C4=CN=CC=C4
Structure:
CAS RN: 7027-12-5
CAS Name: 4-[4-(4-morpholinylsulfonyl)phenyl]-N-[(4-propan-2-ylphenyl)methylideneamino]-2-thiazolamine
OPENEYE Name: N-[(4-isopropylphenyl)methyleneamino]-4-(4-morpholinosulfonylphenyl)thiazol-2-amine
IUPAC Name: 4-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-propan-2-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
SYSTEMATIC NAME: 4-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-propan-2-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
MOLECULAR FORMULA: C23H26N4O3S2
MOLECULAR WEIGHT: 470.60754
SMILES: CC(C)C1=CC=C(C=C1)C=NNC2=NC(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4
Structure:
CAS RN: 6958-71-0
CAS Name: 2-amino-6-(2-methylphenyl)-4-(2,3,4,5,6-pentafluorophenyl)-3-pyridinecarbonitrile
OPENEYE Name: 2-amino-6-(o-tolyl)-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile
IUPAC Name: 2-amino-6-(2-methylphenyl)-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-6-(2-methylphenyl)-4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]pyridine-3-carbonitrile
MOLECULAR FORMULA: C19H10F5N3
MOLECULAR WEIGHT: 375.294816
SMILES: CC1=CC=CC=C1C2=NC(=C(C(=C2)C3=C(C(=C(C(=C3F)F)F)F)F)C#N)N
Structure:
CAS RN: 6958-70-9
CAS Name: 2-amino-6-(2-methylphenyl)-4-(6-nitro-1,3-benzodioxol-5-yl)-3-pyridinecarbonitrile
OPENEYE Name: 2-amino-4-(6-nitro-1,3-benzodioxol-5-yl)-6-(o-tolyl)pyridine-3-carbonitrile
IUPAC Name: 2-amino-6-(2-methylphenyl)-4-(6-nitro-1,3-benzodioxol-5-yl)pyridine-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-6-(2-methylphenyl)-4-(6-nitro-1,3-benzodioxol-5-yl)pyridine-3-carbonitrile
MOLECULAR FORMULA: C20H14N4O4
MOLECULAR WEIGHT: 374.34956
SMILES: CC1=CC=CC=C1C2=NC(=C(C(=C2)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C#N)N
Structure:
CAS RN: 6958-69-6
CAS Name: 2-amino-4-(2-methoxyphenyl)-6-(2-methylphenyl)-3-pyridinecarbonitrile
OPENEYE Name: 2-amino-4-(2-methoxyphenyl)-6-(o-tolyl)pyridine-3-carbonitrile
IUPAC Name: 2-amino-4-(2-methoxyphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-(2-methoxyphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
MOLECULAR FORMULA: C20H17N3O
MOLECULAR WEIGHT: 315.36848
SMILES: CC1=CC=CC=C1C2=NC(=C(C(=C2)C3=CC=CC=C3OC)C#N)N
Structure:
CAS RN: 6938-69-8
CAS Name: 3-chlorobenzoic acid [4-[(3-chlorophenyl)-oxomethyl]azoanilino] ester
OPENEYE Name: [4-(3-chlorobenzoyl)azoanilino] 3-chlorobenzoate
IUPAC Name: [4-[(3-chlorobenzoyl)diazenyl]anilino] 3-chlorobenzoate
SYSTEMATIC NAME: [[4-[(3-chlorophenyl)carbonyldiazenyl]phenyl]amino] 3-chloranylbenzoate
MOLECULAR FORMULA: C20H13Cl2N3O3
MOLECULAR WEIGHT: 414.24152
SMILES: C1=CC(=CC(=C1)Cl)C(=O)N=NC2=CC=C(C=C2)NOC(=O)C3=CC(=CC=C3)Cl
Structure:
CAS RN: 6978-69-4
CAS Name: N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]-3-(4-fluorophenyl)-2-propenamide
OPENEYE Name: N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
IUPAC Name: N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
SYSTEMATIC NAME: N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
MOLECULAR FORMULA: C16H11F2N3O3S
MOLECULAR WEIGHT: 363.338646
SMILES: C1=CC(=CC=C1C=CC(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F)F
Structure:
CAS RN: 7007-10-5
CAS Name: 3-methoxy-4-(2-methylpropoxy)benzohydrazide
OPENEYE Name: 4-isobutoxy-3-methoxy-benzohydrazide
IUPAC Name: 3-methoxy-4-(2-methylpropoxy)benzohydrazide
SYSTEMATIC NAME: 3-methoxy-4-(2-methylpropoxy)benzohydrazide
MOLECULAR FORMULA: C12H18N2O3
MOLECULAR WEIGHT: 238.28292
SMILES: CC(C)COC1=C(C=C(C=C1)C(=O)NN)OC
Structure:
CAS RN: 7018-54-4
CAS Name: 4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
OPENEYE Name: 4-[(3-butoxyphenyl)-hydroxy-methylene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
IUPAC Name: 4-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
SYSTEMATIC NAME: 4-[(3-butoxyphenyl)-oxidanyl-methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
MOLECULAR FORMULA: C29H25N3O6S
MOLECULAR WEIGHT: 543.5903
SMILES: CCCCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)C)C5=CC(=CC=C5)[N+](=O)[O-])O
Structure:
CAS RN: 6072-50-0
CAS Name: 2-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methyl-3-pyrazolyl]-6-(2-hydroxy-4-methoxyphenyl)-6a-methyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
OPENEYE Name: 2-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[5-(5-chloro-3-methyl-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]-6-(2-hydroxy-4-methoxy-phenyl)-6a-methyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC Name: 2-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methylpyrazol-3-yl]-6-(2-hydroxy-4-methoxyphenyl)-6a-methyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 2-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[5-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-2-methyl-pyrazol-3-yl]-6-(4-methoxy-2-oxidanyl-phenyl)-6a-methyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C48H38ClN5O7S
MOLECULAR WEIGHT: 864.36262
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)C5CC6C7C(CC=C6C(C5(C4=O)C)C8=C(C=C(C=C8)OC)O)C(=O)N(C7=O)C9=CC=C(C=C9)C1=NC2=CC=CC=C2O1)C
Structure:
CAS RN: 6070-04-8
CAS Name: 3-[8-(3-chlorophenyl)-6-[2-(2-hydroxyethoxy)phenyl]-1,3,7,9-tetraoxo-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindol-2-yl]benzoic acid
OPENEYE Name: 3-[8-(3-chlorophenyl)-6-[2-(2-hydroxyethoxy)phenyl]-1,3,7,9-tetraoxo-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindol-2-yl]benzoic acid
IUPAC Name: 3-[8-(3-chlorophenyl)-6-[2-(2-hydroxyethoxy)phenyl]-1,3,7,9-tetraoxo-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindol-2-yl]benzoic acid
SYSTEMATIC NAME: 3-[8-(3-chlorophenyl)-6-[2-(2-hydroxyethyloxy)phenyl]-1,3,7,9-tetrakis(oxidanylidene)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindol-2-yl]benzoic acid
MOLECULAR FORMULA: C41H33ClN2O8
MOLECULAR WEIGHT: 717.16232
SMILES: C1C=C2C(CC3C(=O)N(C(=O)C3(C2C4=CC=CC=C4OCCO)C5=CC=CC=C5)C6=CC(=CC=C6)Cl)C7C1C(=O)N(C7=O)C8=CC=CC(=C8)C(=O)O
Structure:
CAS RN: 6068-82-2
CAS Name: 8-(3-chlorophenyl)-6-(3-fluoro-4-hydroxyphenyl)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
OPENEYE Name: 8-(3-chlorophenyl)-6-(3-fluoro-4-hydroxy-phenyl)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
IUPAC Name: 8-(3-chlorophenyl)-6-(3-fluoro-4-hydroxyphenyl)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
SYSTEMATIC NAME: 8-(3-chlorophenyl)-6-(3-fluoranyl-4-oxidanyl-phenyl)-6a-phenyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
MOLECULAR FORMULA: C32H24ClFN2O5
MOLECULAR WEIGHT: 570.994763
SMILES: C1C=C2C(CC3C(=O)N(C(=O)C3(C2C4=CC(=C(C=C4)O)F)C5=CC=CC=C5)C6=CC(=CC=C6)Cl)C7C1C(=O)NC7=O
Structure:
CAS RN: 6987-19-5
CAS Name: 2-(4-chloro-3-methylphenoxy)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
OPENEYE Name: 2-(4-chloro-3-methyl-phenoxy)-N-[(2,4-dichlorophenyl)methyleneamino]acetamide
IUPAC Name: 2-(4-chloro-3-methylphenoxy)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
SYSTEMATIC NAME: 2-(4-chloranyl-3-methyl-phenoxy)-N-[(2,4-dichlorophenyl)methylideneamino]ethanamide
MOLECULAR FORMULA: C16H13Cl3N2O2
MOLECULAR WEIGHT: 371.64562
SMILES: CC1=C(C=CC(=C1)OCC(=O)NN=CC2=C(C=C(C=C2)Cl)Cl)Cl
Structure:
CAS RN: 6998-59-0
CAS Name: 5-methyl-3-(prop-2-enylthio)-1H-1,2,4-triazole
OPENEYE Name: 3-allylsulfanyl-5-methyl-1H-1,2,4-triazole
IUPAC Name: 5-methyl-3-prop-2-enylsulfanyl-1H-1,2,4-triazole
SYSTEMATIC NAME: 5-methyl-3-prop-2-enylsulfanyl-1H-1,2,4-triazole
MOLECULAR FORMULA: C6H9N3S
MOLECULAR WEIGHT: 155.22076
SMILES: CC1=NC(=NN1)SCC=C
Structure:
CAS RN: 6927-13-5
CAS Name: 2-amino-4-[4-methoxy-2-[(3-methoxyphenoxy)methyl]phenyl]-5-oxo-4H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
OPENEYE Name: 2-amino-4-[4-methoxy-2-[(3-methoxyphenoxy)methyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
IUPAC Name: 2-amino-4-[4-methoxy-2-[(3-methoxyphenoxy)methyl]phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-[4-methoxy-2-[(3-methoxyphenoxy)methyl]phenyl]-5-oxidanylidene-4H-pyrano[3,2-c]chromene-3-carbonitrile
MOLECULAR FORMULA: C28H22N2O6
MOLECULAR WEIGHT: 482.48408
SMILES: COC1=CC(=CC=C1)OCC2=C(C=CC(=C2)OC)C3C(=C(OC4=C3C(=O)OC5=CC=CC=C54)N)C#N
Structure:
CAS RN: 6927-12-4
CAS Name: 2-amino-5-oxo-4-(3-pyridinyl)-6a,10a-dihydro-4H-pyrano[3,2-c][1]benzopyran-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-amino-5-oxo-4-(3-pyridyl)-6a,10a-dihydro-4H-pyrano[3,2-c]chromene-3-carboxylate
IUPAC Name: ethyl 2-amino-5-oxo-4-pyridin-3-yl-6a,10a-dihydro-4H-pyrano[3,2-c]chromene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-5-oxidanylidene-4-pyridin-3-yl-6a,10a-dihydro-4H-pyrano[3,2-c]chromene-3-carboxylate
MOLECULAR FORMULA: C20H18N2O5
MOLECULAR WEIGHT: 366.36732
SMILES: CCOC(=O)C1=C(OC2=C(C1C3=CN=CC=C3)C(=O)OC4C2C=CC=C4)N
Structure:
CAS RN: 6978-68-3
CAS Name: 3-(4-fluorophenyl)-N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]-2-propenamide
OPENEYE Name: 3-(4-fluorophenyl)-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]prop-2-enamide
IUPAC Name: 3-(4-fluorophenyl)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]prop-2-enamide
SYSTEMATIC NAME: 3-(4-fluorophenyl)-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]prop-2-enamide
MOLECULAR FORMULA: C17H14FN3O3S
MOLECULAR WEIGHT: 359.374763
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C=CC2=CC=C(C=C2)F
Structure:
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