CAS RN: 91919-70-9
CAS Name: N-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-7-ethoxy-2-methyl-4-quinolinamine
OPENEYE Name: N-[[4-[bis(2-chloroethyl)amino]phenyl]methyleneamino]-7-ethoxy-2-methyl-quinolin-4-amine
IUPAC Name: N-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-7-ethoxy-2-methylquinolin-4-amine
SYSTEMATIC NAME: N-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-7-ethoxy-2-methyl-quinolin-4-amine
MOLECULAR FORMULA: C23H26Cl2N4O
MOLECULAR WEIGHT: 445.38474
SMILES: CCOC1=CC2=C(C=C1)C(=CC(=N2)C)NN=CC3=CC=C(C=C3)N(CCCl)CCCl
Structure:
CAS RN: 91933-15-2
CAS Name: N-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine
OPENEYE Name: N-[[4-[bis(2-chloroethyl)amino]phenyl]methyleneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine
IUPAC Name: N-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine
SYSTEMATIC NAME: N-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine
MOLECULAR FORMULA: C22H22Cl2N4O2
MOLECULAR WEIGHT: 445.34168
SMILES: CC1=NC2=CC3=C(C=C2C(=C1)NN=CC4=CC=C(C=C4)N(CCCl)CCCl)OCO3
Structure:
CAS RN: 91919-67-4
CAS Name: N-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-6-methoxy-2-methyl-4-quinolinamine
OPENEYE Name: N-[[4-[bis(2-chloroethyl)amino]phenyl]methyleneamino]-6-methoxy-2-methyl-quinolin-4-amine
IUPAC Name: N-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-6-methoxy-2-methylquinolin-4-amine
SYSTEMATIC NAME: N-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-6-methoxy-2-methyl-quinolin-4-amine
MOLECULAR FORMULA: C22H24Cl2N4O
MOLECULAR WEIGHT: 431.35816
SMILES: CC1=NC2=C(C=C(C=C2)OC)C(=C1)NN=CC3=CC=C(C=C3)N(CCCl)CCCl
Structure:
CAS RN: 91919-55-0
CAS Name: N-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-4-quinolinamine
OPENEYE Name: N-[[4-[bis(2-chloroethyl)amino]phenyl]methyleneamino]quinolin-4-amine
IUPAC Name: N-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]quinolin-4-amine
SYSTEMATIC NAME: N-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]quinolin-4-amine
MOLECULAR FORMULA: C20H20Cl2N4
MOLECULAR WEIGHT: 387.3056
SMILES: C1=CC=C2C(=C1)C(=CC=N2)NN=CC3=CC=C(C=C3)N(CCCl)CCCl
Structure:
CAS RN: 72567-28-3
CAS Name: 5-nitro-2-[(1-oxido-2-pyrazin-1-iumyl)thio]thiazole
OPENEYE Name: 5-nitro-2-(1-oxidopyrazin-1-ium-2-yl)sulfanyl-thiazole
IUPAC Name: 5-nitro-2-(1-oxidopyrazin-1-ium-2-yl)sulfanyl-1,3-thiazole
SYSTEMATIC NAME: 5-nitro-2-(1-oxidanidylpyrazin-1-ium-2-yl)sulfanyl-1,3-thiazole
MOLECULAR FORMULA: C7H4N4O3S2
MOLECULAR WEIGHT: 256.26166
SMILES: C1=C[N+](=C(C=N1)SC2=NC=C(S2)[N+](=O)[O-])[O-]
Structure:
CAS RN: 67056-35-3
CAS Name: 4-methylbenzenesulfonic acid 2-(3,4-dimethyl-6-oxo-1-pyrano[2,3-c]pyrazolyl)ethyl ester
OPENEYE Name: 2-(3,4-dimethyl-6-oxo-pyrano[2,3-c]pyrazol-1-yl)ethyl 4-methylbenzenesulfonate
IUPAC Name: 2-(3,4-dimethyl-6-oxopyrano[2,3-c]pyrazol-1-yl)ethyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: 2-(3,4-dimethyl-6-oxidanylidene-pyrano[2,3-c]pyrazol-1-yl)ethyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C17H18N2O5S
MOLECULAR WEIGHT: 362.40022
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCN2C3=C(C(=CC(=O)O3)C)C(=N2)C
Structure:
CAS RN: 59277-12-2
CAS Name: 1-(benzenesulfonyl)-2-methyl-3-buten-2-ol
OPENEYE Name: 1-(benzenesulfonyl)-2-methyl-but-3-en-2-ol
IUPAC Name: 1-(benzenesulfonyl)-2-methylbut-3-en-2-ol
SYSTEMATIC NAME: 2-methyl-1-(phenylsulfonyl)but-3-en-2-ol
MOLECULAR FORMULA: C11H14O3S
MOLECULAR WEIGHT: 226.29206
SMILES: CC(CS(=O)(=O)C1=CC=CC=C1)(C=C)O
Structure:
CAS RN: 74754-51-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H14N6O5
MOLECULAR WEIGHT: 334.28746
SMILES: C1=NC(=O)NC2=C1C3=C(N2C4C(C(C(O4)CO)O)O)N=CN=C3N
Structure:
CAS RN: 74754-50-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H15N7O5
MOLECULAR WEIGHT: 349.3021
SMILES: C1=NC2=C(C3=C(NC(=O)N=C3N2C4C(C(C(O4)CO)O)O)N)C(=N1)N
Structure:
CAS RN: 59166-15-3
CAS Name: 4-(4-chlorophenyl)-1,3,8-trimethyl-4H-pyrazolo[3,4-e][1,4]thiazepin-7-one
OPENEYE Name: 4-(4-chlorophenyl)-1,3,8-trimethyl-4H-pyrazolo[3,4-e][1,4]thiazepin-7-one
IUPAC Name: 4-(4-chlorophenyl)-1,3,8-trimethyl-4H-pyrazolo[3,4-e][1,4]thiazepin-7-one
SYSTEMATIC NAME: 4-(4-chlorophenyl)-1,3,8-trimethyl-4H-pyrazolo[3,4-e][1,4]thiazepin-7-one
MOLECULAR FORMULA: C15H16ClN3OS
MOLECULAR WEIGHT: 321.82504
SMILES: CC1=NN(C2=C1C(SCC(=O)N2C)C3=CC=C(C=C3)Cl)C
Structure:
CAS RN: 73009-98-0
CAS Name: 2-(diethylamino)-1-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanol
OPENEYE Name: 2-(diethylamino)-1-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanol
IUPAC Name: 2-(diethylamino)-1-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanol
SYSTEMATIC NAME: 2-(diethylamino)-1-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)ethanol
MOLECULAR FORMULA: C25H30N2O
MOLECULAR WEIGHT: 374.5185
SMILES: CCN(CC)CC(C1=C(C(=C2N1CCC2)C3=CC=CC=C3)C4=CC=CC=C4)O
Structure:
CAS RN: 67130-92-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H12O6S3
MOLECULAR WEIGHT: 348.41508
SMILES: C1C2=C3CS(=O)(=O)CC3=C4CS(=O)(=O)CC4=C2CS1(=O)=O
Structure:
CAS RN: 66870-03-9
CAS Name: 4-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-6-ethoxy-1,3-dimethyl-2-pyrimidinone
OPENEYE Name: 4-[1-(4-chlorophenyl)ethylidenehydrazono]-6-ethoxy-1,3-dimethyl-pyrimidin-2-one
IUPAC Name: 4-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-6-ethoxy-1,3-dimethylpyrimidin-2-one
SYSTEMATIC NAME: 4-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-6-ethoxy-1,3-dimethyl-pyrimidin-2-one
MOLECULAR FORMULA: C16H19ClN4O2
MOLECULAR WEIGHT: 334.80066
SMILES: CCOC1=CC(=NN=C(C)C2=CC=C(C=C2)Cl)N(C(=O)N1C)C
Structure:
CAS RN: 80413-80-5
CAS Name: 1-nitroso-1,3-bis(4-oxanyl)urea
OPENEYE Name: 1-nitroso-1,3-di(tetrahydropyran-4-yl)urea
IUPAC Name: 1-nitroso-1,3-bis(oxan-4-yl)urea
SYSTEMATIC NAME: 1-nitroso-1,3-bis(oxan-4-yl)urea
MOLECULAR FORMULA: C11H19N3O4
MOLECULAR WEIGHT: 257.28626
SMILES: C1COCCC1NC(=O)N(C2CCOCC2)N=O
Structure:
CAS RN: 75030-66-9
CAS Name: 3-(tert-butylamino)-2-[(tert-butylamino)methyl]-1-phenyl-1-propanone
OPENEYE Name: 3-(tert-butylamino)-2-[(tert-butylamino)methyl]-1-phenyl-propan-1-one
IUPAC Name: 3-(tert-butylamino)-2-[(tert-butylamino)methyl]-1-phenylpropan-1-one
SYSTEMATIC NAME: 3-(tert-butylamino)-2-[(tert-butylamino)methyl]-1-phenyl-propan-1-one
MOLECULAR FORMULA: C18H30N2O
MOLECULAR WEIGHT: 290.4436
SMILES: CC(C)(C)NCC(CNC(C)(C)C)C(=O)C1=CC=CC=C1
Structure:
CAS RN: 75030-64-7
CAS Name: 2-[[2-benzoylprop-2-enyl(tert-butyl)amino]methyl]-1-phenyl-2-propen-1-one
OPENEYE Name: 2-[[2-benzoylallyl(tert-butyl)amino]methyl]-1-phenyl-prop-2-en-1-one
IUPAC Name: 2-[[2-benzoylprop-2-enyl(tert-butyl)amino]methyl]-1-phenylprop-2-en-1-one
SYSTEMATIC NAME: 2-[[tert-butyl-[2-(phenylcarbonyl)prop-2-enyl]amino]methyl]-1-phenyl-prop-2-en-1-one
MOLECULAR FORMULA: C24H27NO2
MOLECULAR WEIGHT: 361.47668
SMILES: CC(C)(C)N(CC(=C)C(=O)C1=CC=CC=C1)CC(=C)C(=O)C2=CC=CC=C2
Structure:
CAS RN: 75030-61-4
CAS Name: 2-[(tert-butylamino)methyl]-1-phenyl-2-propen-1-one
OPENEYE Name: 2-[(tert-butylamino)methyl]-1-phenyl-prop-2-en-1-one
IUPAC Name: 2-[(tert-butylamino)methyl]-1-phenylprop-2-en-1-one
SYSTEMATIC NAME: 2-[(tert-butylamino)methyl]-1-phenyl-prop-2-en-1-one
MOLECULAR FORMULA: C14H19NO
MOLECULAR WEIGHT: 217.30676
SMILES: CC(C)(C)NCC(=C)C(=O)C1=CC=CC=C1
Structure:
CAS RN: 91038-03-8
CAS Name: N-ethylazo-4-nitroaniline
OPENEYE Name: N-ethylazo-4-nitro-aniline
IUPAC Name: N-(ethyldiazenyl)-4-nitroaniline
SYSTEMATIC NAME: N-(ethyldiazenyl)-4-nitro-aniline
MOLECULAR FORMULA: C8H10N4O2
MOLECULAR WEIGHT: 194.1906
SMILES: CCN=NNC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 91038-02-7
CAS Name: 4-(2-tert-butyliminohydrazinyl)benzoic acid ethyl ester
OPENEYE Name: ethyl 4-(2-tert-butyliminohydrazino)benzoate
IUPAC Name: ethyl 4-(2-tert-butyliminohydrazinyl)benzoate
SYSTEMATIC NAME: ethyl 4-(2-tert-butyliminohydrazinyl)benzoate
MOLECULAR FORMULA: C13H19N3O2
MOLECULAR WEIGHT: 249.30886
SMILES: CCOC(=O)C1=CC=C(C=C1)NN=NC(C)(C)C
Structure:
CAS RN: 91038-04-9
CAS Name: N-tert-butylazo-4-nitroaniline
OPENEYE Name: N-tert-butylazo-4-nitro-aniline
IUPAC Name: N-(tert-butyldiazenyl)-4-nitroaniline
SYSTEMATIC NAME: N-(tert-butyldiazenyl)-4-nitro-aniline
MOLECULAR FORMULA: C10H14N4O2
MOLECULAR WEIGHT: 222.24376
SMILES: CC(C)(C)N=NNC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 82647-07-2
CAS Name: 4-[2-(2-methoxyethylimino)hydrazinyl]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[2-(2-methoxyethylimino)hydrazino]benzoate
IUPAC Name: ethyl 4-[2-(2-methoxyethylimino)hydrazinyl]benzoate
SYSTEMATIC NAME: ethyl 4-[2-(2-methoxyethylimino)hydrazinyl]benzoate
MOLECULAR FORMULA: C12H17N3O3
MOLECULAR WEIGHT: 251.28168
SMILES: CCOC(=O)C1=CC=C(C=C1)NN=NCCOC
Structure:
CAS RN: 82647-06-1
CAS Name: 4-[2-(2-hydroxyethylimino)hydrazinyl]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[2-(2-hydroxyethylimino)hydrazino]benzoate
IUPAC Name: ethyl 4-[2-(2-hydroxyethylimino)hydrazinyl]benzoate
SYSTEMATIC NAME: ethyl 4-[2-(2-hydroxyethylimino)hydrazinyl]benzoate
MOLECULAR FORMULA: C11H15N3O3
MOLECULAR WEIGHT: 237.2551
SMILES: CCOC(=O)C1=CC=C(C=C1)NN=NCCO
Structure:
CAS RN: 82647-05-0
CAS Name: 4-[2-(2-methoxyethylimino)hydrazinyl]benzonitrile
OPENEYE Name: 4-[2-(2-methoxyethylimino)hydrazino]benzonitrile
IUPAC Name: 4-[2-(2-methoxyethylimino)hydrazinyl]benzonitrile
SYSTEMATIC NAME: 4-[2-(2-methoxyethylimino)hydrazinyl]benzenecarbonitrile
MOLECULAR FORMULA: C10H12N4O
MOLECULAR WEIGHT: 204.22848
SMILES: COCCN=NNC1=CC=C(C=C1)C#N
Structure:
CAS RN: 82647-04-9
CAS Name: 4-[2-(2-hydroxyethylimino)hydrazinyl]benzonitrile
OPENEYE Name: 4-[2-(2-hydroxyethylimino)hydrazino]benzonitrile
IUPAC Name: 4-[2-(2-hydroxyethylimino)hydrazinyl]benzonitrile
SYSTEMATIC NAME: 4-[2-(2-hydroxyethylimino)hydrazinyl]benzenecarbonitrile
MOLECULAR FORMULA: C9H10N4O
MOLECULAR WEIGHT: 190.2019
SMILES: C1=CC(=CC=C1C#N)NN=NCCO
Structure:
CAS RN: 84319-73-3
CAS Name: 1-cyclohexyl-3-(3,4-dichlorophenyl)-2-propen-1-one
OPENEYE Name: 1-cyclohexyl-3-(3,4-dichlorophenyl)prop-2-en-1-one
IUPAC Name: 1-cyclohexyl-3-(3,4-dichlorophenyl)prop-2-en-1-one
SYSTEMATIC NAME: 1-cyclohexyl-3-(3,4-dichlorophenyl)prop-2-en-1-one
MOLECULAR FORMULA: C15H16Cl2O
MOLECULAR WEIGHT: 283.19294
SMILES: C1CCC(CC1)C(=O)C=CC2=CC(=C(C=C2)Cl)Cl
Structure:
CAS RN: 84319-70-0
CAS Name: 1-(3,4-dichlorophenyl)-1-hepten-3-one
OPENEYE Name: 1-(3,4-dichlorophenyl)hept-1-en-3-one
IUPAC Name: 1-(3,4-dichlorophenyl)hept-1-en-3-one
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)hept-1-en-3-one
MOLECULAR FORMULA: C13H14Cl2O
MOLECULAR WEIGHT: 257.15566
SMILES: CCCCC(=O)C=CC1=CC(=C(C=C1)Cl)Cl
Structure:
CAS RN: 84319-72-2
CAS Name: 1-(3,4-dichlorophenyl)-4,4-dimethyl-1-penten-3-one
OPENEYE Name: 1-(3,4-dichlorophenyl)-4,4-dimethyl-pent-1-en-3-one
IUPAC Name: 1-(3,4-dichlorophenyl)-4,4-dimethylpent-1-en-3-one
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-4,4-dimethyl-pent-1-en-3-one
MOLECULAR FORMULA: C13H14Cl2O
MOLECULAR WEIGHT: 257.15566
SMILES: CC(C)(C)C(=O)C=CC1=CC(=C(C=C1)Cl)Cl
Structure:
CAS RN: 84319-69-7
CAS Name: 1-cyclohexyl-3-phenyl-2-propen-1-one
OPENEYE Name: 1-cyclohexyl-3-phenyl-prop-2-en-1-one
IUPAC Name: 1-cyclohexyl-3-phenylprop-2-en-1-one
SYSTEMATIC NAME: 1-cyclohexyl-3-phenyl-prop-2-en-1-one
MOLECULAR FORMULA: C15H18O
MOLECULAR WEIGHT: 214.30282
SMILES: C1CCC(CC1)C(=O)C=CC2=CC=CC=C2
Structure:
CAS RN: 76529-47-0
CAS Name: 4-iodo-1-methyl-5-nitroimidazole
OPENEYE Name: 4-iodo-1-methyl-5-nitro-imidazole
IUPAC Name: 4-iodo-1-methyl-5-nitroimidazole
SYSTEMATIC NAME: 4-iodanyl-1-methyl-5-nitro-imidazole
MOLECULAR FORMULA: C4H4IN3O2
MOLECULAR WEIGHT: 252.99793
SMILES: CN1C=NC(=C1[N+](=O)[O-])I
Structure:
CAS RN: 76529-48-1
CAS Name: 5-iodo-4-nitro-1H-imidazole
OPENEYE Name: 5-iodo-4-nitro-1H-imidazole
IUPAC Name: 5-iodo-4-nitro-1H-imidazole
SYSTEMATIC NAME: 5-iodanyl-4-nitro-1H-imidazole
MOLECULAR FORMULA: C3H2IN3O2
MOLECULAR WEIGHT: 238.97135
SMILES: C1=NC(=C(N1)I)[N+](=O)[O-]
Structure:
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