CAS RN: 59154-46-0
CAS Name: 3,9-bis(phenylmethyl)-2,4,8,10-tetrahydro-[1,3]benzoxazino[6,5-f][1,3]benzoxazine
OPENEYE Name: 3,9-dibenzyl-2,4,8,10-tetrahydro-[1,3]benzoxazino[6,5-f][1,3]benzoxazine
IUPAC Name: 3,9-dibenzyl-2,4,8,10-tetrahydro-[1,3]benzoxazino[6,5-f][1,3]benzoxazine
SYSTEMATIC NAME: 3,9-bis(phenylmethyl)-2,4,8,10-tetrahydro-[1,3]benzoxazino[6,5-f][1,3]benzoxazine
MOLECULAR FORMULA: C28H26N2O2
MOLECULAR WEIGHT: 422.51824
SMILES: C1C2=C(C=CC3=C2C=CC4=C3CN(CO4)CC5=CC=CC=C5)OCN1CC6=CC=CC=C6
Structure:
CAS RN: 35141-71-0
CAS Name: 2-(phenylmethyl)-1,3-dihydrobenzo[f][1,3]benzoxazin-9-ol
OPENEYE Name: 2-benzyl-1,3-dihydrobenzo[f][1,3]benzoxazin-9-ol
IUPAC Name: 2-benzyl-1,3-dihydrobenzo[f][1,3]benzoxazin-9-ol
SYSTEMATIC NAME: 2-(phenylmethyl)-1,3-dihydrobenzo[f][1,3]benzoxazin-9-ol
MOLECULAR FORMULA: C19H17NO2
MOLECULAR WEIGHT: 291.34378
SMILES: C1C2=C(C=CC3=C2C=C(C=C3)O)OCN1CC4=CC=CC=C4
Structure:
CAS RN: 14790-42-2
CAS Name: 4-chloro-2-phenylpyrimidine
OPENEYE Name: 4-chloro-2-phenyl-pyrimidine
IUPAC Name: 4-chloro-2-phenylpyrimidine
SYSTEMATIC NAME: 4-chloranyl-2-phenyl-pyrimidine
MOLECULAR FORMULA: C10H7ClN2
MOLECULAR WEIGHT: 190.62898
SMILES: C1=CC=C(C=C1)C2=NC=CC(=N2)Cl
Structure:
CAS RN: 15043-17-1
CAS Name: benzoic acid [4-(2,4-dioxo-1-pyrimidinyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methyl ester
OPENEYE Name: [4-(2,4-dioxopyrimidin-1-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methyl benzoate
IUPAC Name: [4-(2,4-dioxopyrimidin-1-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methyl benzoate
SYSTEMATIC NAME: [4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methyl benzoate
MOLECULAR FORMULA: C16H14N2O6
MOLECULAR WEIGHT: 330.29216
SMILES: C1=CC=C(C=C1)C(=O)OCC2C3C(O3)C(O2)N4C=CC(=O)NC4=O
Structure:
CAS RN: 38226-53-8
CAS Name: (2S)-5-amino-2-(1,3-dioxo-2-isoindolyl)-5-oxopentanoic acid
OPENEYE Name: (2S)-5-amino-2-(1,3-dioxoisoindolin-2-yl)-5-oxo-pentanoic acid
IUPAC Name: (2S)-5-amino-2-(1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid
SYSTEMATIC NAME: (2S)-5-azanyl-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C13H12N2O5
MOLECULAR WEIGHT: 276.24478
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)[C@@H](CCC(=O)N)C(=O)O
Structure:
CAS RN: 3343-29-1
CAS Name: (2S)-5-amino-2-(1,3-dioxo-2-isoindolyl)-5-oxopentanoic acid
OPENEYE Name: (2S)-5-amino-2-(1,3-dioxoisoindolin-2-yl)-5-oxo-pentanoic acid
IUPAC Name: (2S)-5-amino-2-(1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid
SYSTEMATIC NAME: (2S)-5-azanyl-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C13H12N2O5
MOLECULAR WEIGHT: 276.24478
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)[C@@H](CCC(=O)N)C(=O)O
Structure:
CAS RN: 19522-39-5
CAS Name: 5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
OPENEYE Name: 5-amino-4-(benzyloxycarbonylamino)-5-oxo-pentanoic acid
IUPAC Name: 5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
SYSTEMATIC NAME: 5-azanyl-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoic acid
MOLECULAR FORMULA: C13H16N2O5
MOLECULAR WEIGHT: 280.27654
SMILES: C1=CC=C(C=C1)COC(=O)NC(CCC(=O)O)C(=O)N
Structure:
CAS RN: 16326-27-5
CAS Name: 1-(2-chloroethyl)-3-(3-methoxyphenyl)-1-nitrosourea
OPENEYE Name: 1-(2-chloroethyl)-3-(3-methoxyphenyl)-1-nitroso-urea
IUPAC Name: 1-(2-chloroethyl)-3-(3-methoxyphenyl)-1-nitrosourea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(3-methoxyphenyl)-1-nitroso-urea
MOLECULAR FORMULA: C10H12ClN3O3
MOLECULAR WEIGHT: 257.67358
SMILES: COC1=CC=CC(=C1)NC(=O)N(CCCl)N=O
Structure:
CAS RN: 147861-76-5
CAS Name: N-(2-chloroethyl)-1,3-bis[(4-chlorophenyl)methyl]-2-oxo-1,3,2$l^{5}-diazaphosphorinan-2-amine
OPENEYE Name: N-(2-chloroethyl)-1,3-bis[(4-chlorophenyl)methyl]-2-oxo-1,3,2$l^{5}-diazaphosphinan-2-amine
IUPAC Name: N-(2-chloroethyl)-1,3-bis[(4-chlorophenyl)methyl]-2-oxo-1,3,2$l^{5}-diazaphosphinan-2-amine
SYSTEMATIC NAME: N-(2-chloroethyl)-1,3-bis[(4-chlorophenyl)methyl]-2-oxidanylidene-1,3,2$l^{5}-diazaphosphinan-2-amine
MOLECULAR FORMULA: C19H23Cl3N3OP
MOLECULAR WEIGHT: 446.738181
SMILES: C1CN(P(=O)(N(C1)CC2=CC=C(C=C2)Cl)NCCCl)CC3=CC=C(C=C3)Cl
Structure:
CAS RN: 1122-78-7
CAS Name: 2-ethoxy-5-methyl-1,3,4-oxadiazole
OPENEYE Name: 2-ethoxy-5-methyl-1,3,4-oxadiazole
IUPAC Name: 2-ethoxy-5-methyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-ethoxy-5-methyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C5H8N2O2
MOLECULAR WEIGHT: 128.12922
SMILES: CCOC1=NN=C(O1)C
Structure:
CAS RN: 849-82-1
CAS Name: 4-methoxy-N'-[(4-methoxyphenyl)-oxomethyl]benzohydrazide
OPENEYE Name: 4-methoxy-N'-(4-methoxybenzoyl)benzohydrazide
IUPAC Name: 4-methoxy-N'-(4-methoxybenzoyl)benzohydrazide
SYSTEMATIC NAME: 4-methoxy-N'-(4-methoxyphenyl)carbonyl-benzohydrazide
MOLECULAR FORMULA: C16H16N2O4
MOLECULAR WEIGHT: 300.30924
SMILES: COC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)OC
Structure:
CAS RN: 16732-70-0
CAS Name: 5-bromo-1H-indole-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-bromo-1H-indole-2-carboxylate
IUPAC Name: ethyl 5-bromo-1H-indole-2-carboxylate
SYSTEMATIC NAME: ethyl 5-bromanyl-1H-indole-2-carboxylate
MOLECULAR FORMULA: C11H10BrNO2
MOLECULAR WEIGHT: 268.1066
SMILES: CCOC(=O)C1=CC2=C(N1)C=CC(=C2)Br
Structure:
CAS RN: 2338-71-8
CAS Name: 5-fluoro-1H-indole-3-carboxaldehyde
OPENEYE Name: 5-fluoro-1H-indole-3-carbaldehyde
IUPAC Name: 5-fluoro-1H-indole-3-carbaldehyde
SYSTEMATIC NAME: 5-fluoranyl-1H-indole-3-carbaldehyde
MOLECULAR FORMULA: C9H6FNO
MOLECULAR WEIGHT: 163.148443
SMILES: C1=CC2=C(C=C1F)C(=CN2)C=O
Structure:
CAS RN: 3819-88-3
CAS Name: 1-fluoro-3-iodo-5-nitrobenzene
OPENEYE Name: 1-fluoro-3-iodo-5-nitro-benzene
IUPAC Name: 1-fluoro-3-iodo-5-nitrobenzene
SYSTEMATIC NAME: 1-fluoranyl-3-iodanyl-5-nitro-benzene
MOLECULAR FORMULA: C6H3FINO2
MOLECULAR WEIGHT: 266.996393
SMILES: C1=C(C=C(C=C1F)I)[N+](=O)[O-]
Structure:
CAS RN: 63665-90-7
CAS Name: 1-(2-ethyl-1-piperidinyl)-1-butanone
OPENEYE Name: 1-(2-ethyl-1-piperidyl)butan-1-one
IUPAC Name: 1-(2-ethylpiperidin-1-yl)butan-1-one
SYSTEMATIC NAME: 1-(2-ethylpiperidin-1-yl)butan-1-one
MOLECULAR FORMULA: C11H21NO
MOLECULAR WEIGHT: 183.29054
SMILES: CCCC(=O)N1CCCCC1CC
Structure:
CAS RN: 33987-21-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H24O4
MOLECULAR WEIGHT: 340.41286
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3C[C@H]5C4=CC(=O)O5)C
Structure:
CAS RN: 11024-56-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H44O3
MOLECULAR WEIGHT: 416.63646
SMILES: CC1=C(O[C@@H]2[C@H]1[C@]3(CC[C@H]4[C@H]([C@@H]3C2)CC[C@H]5[C@@]4(CC[C@@H](C5)O)C)C)CC[C@@H](C)CO
Structure:
CAS RN: 71611-27-3
CAS Name: (8R,9S,13S,14S,17S)-17-(2-fluoroethoxy)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
OPENEYE Name: (8R,9S,13S,14S,17S)-17-(2-fluoroethoxy)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
IUPAC Name: (8R,9S,13S,14S,17S)-17-(2-fluoroethoxy)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
SYSTEMATIC NAME: (8R,9S,13S,14S,17S)-17-(2-fluoranylethoxy)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
MOLECULAR FORMULA: C21H29FO2
MOLECULAR WEIGHT: 332.452163
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OCCF)CCC4=C3C=CC(=C4)OC
Structure:
CAS RN: 6482-98-0
CAS Name: 1-[(13S,14R,17S)-3,6-dimethoxy-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-17-yl]ethanone
OPENEYE Name: 1-[(13S,14R,17S)-3,6-dimethoxy-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-17-yl]ethanone
IUPAC Name: 1-[(13S,14R,17S)-3,6-dimethoxy-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-17-yl]ethanone
SYSTEMATIC NAME: 1-[(13S,14R,17S)-3,6-dimethoxy-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-17-yl]ethanone
MOLECULAR FORMULA: C22H26O3
MOLECULAR WEIGHT: 338.44004
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CCC3=C4C=CC(=CC4=C(C=C23)OC)OC)C
Structure:
CAS RN: 21263-10-5
CAS Name: 1-(3-bromo-5-fluoro-2-hydroxyphenyl)-1-pentanone
OPENEYE Name: 1-(3-bromo-5-fluoro-2-hydroxy-phenyl)pentan-1-one
IUPAC Name: 1-(3-bromo-5-fluoro-2-hydroxyphenyl)pentan-1-one
SYSTEMATIC NAME: 1-(3-bromanyl-5-fluoranyl-2-oxidanyl-phenyl)pentan-1-one
MOLECULAR FORMULA: C11H12BrFO2
MOLECULAR WEIGHT: 275.114183
SMILES: CCCCC(=O)C1=CC(=CC(=C1O)Br)F
Structure:
CAS RN: 26625-84-3
CAS Name: 1-(3-bromo-5-fluoro-2-hydroxyphenyl)-1-heptanone
OPENEYE Name: 1-(3-bromo-5-fluoro-2-hydroxy-phenyl)heptan-1-one
IUPAC Name: 1-(3-bromo-5-fluoro-2-hydroxyphenyl)heptan-1-one
SYSTEMATIC NAME: 1-(3-bromanyl-5-fluoranyl-2-oxidanyl-phenyl)heptan-1-one
MOLECULAR FORMULA: C13H16BrFO2
MOLECULAR WEIGHT: 303.167343
SMILES: CCCCCCC(=O)C1=CC(=CC(=C1O)Br)F
Structure:
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