CAS RN: 38123-24-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H67N3O13
MOLECULAR WEIGHT: 882.04718
SMILES: CCCN(CCC)N(CC)C(=O)COC1=C2C3=C(C(=C1)NC(=O)/C(=C/C=C/C(C(C(C(C(C(C(C(/C=C/OC4(C(=O)C2=C(O4)C(=C3O)C)C)OC)C)OC(=O)C)C)O)C)O)C)/C)O
Structure:
CAS RN: 13724-91-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H56N2O12S
MOLECULAR WEIGHT: 800.95454
SMILES: CC1/C=C/C=C(/C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C(=C2SCCN(C)C)O)O)\C
Structure:
CAS RN: 13292-32-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H53N3O12
MOLECULAR WEIGHT: 815.90452
SMILES: CC1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NNC5=CC=CC=C5)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 17624-02-1
CAS Name: 1,8-dihydroxy-9-xanthenone
OPENEYE Name: 1,8-dihydroxyxanthen-9-one
IUPAC Name: 1,8-dihydroxyxanthen-9-one
SYSTEMATIC NAME: 1,8-bis(oxidanyl)xanthen-9-one
MOLECULAR FORMULA: C13H8O4
MOLECULAR WEIGHT: 228.20022
SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(O2)C=CC=C3O
Structure:
CAS RN: 14368-40-2
CAS Name: (E)-3-phenyl-2-butenenitrile
OPENEYE Name: (E)-3-phenylbut-2-enenitrile
IUPAC Name: (E)-3-phenylbut-2-enenitrile
SYSTEMATIC NAME: (E)-3-phenylbut-2-enenitrile
MOLECULAR FORMULA: C10H9N
MOLECULAR WEIGHT: 143.18516
SMILES: C/C(=C\C#N)/C1=CC=CC=C1
Structure:
CAS RN: 16784-08-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H60N2O13
MOLECULAR WEIGHT: 824.9528
SMILES: CCCCN(C)C(=O)COC1=C2C3=C(C(=C1)NC(=O)/C(=C/C=C/C(C(C(C(C(C(C(C(/C=C/OC4(C(=O)C2=C(O4)C(=C3O)C)C)OC)C)OC(=O)C)C)O)C)O)C)/C)O
Structure:
CAS RN: 13292-45-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H56N4O12
MOLECULAR WEIGHT: 808.91364
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN5CCNCC5)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H](C([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C
Structure:
CAS RN: 13292-47-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C51H66N4O12
MOLECULAR WEIGHT: 927.08934
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN5C(CN(CC5C)CC6=CC=CC=C6)C)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C
Structure:
CAS RN: 55297-68-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C51H66N4O12
MOLECULAR WEIGHT: 927.08934
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN5C(CN(CC5C)CC6=CC=CC=C6)C)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C
Structure:
CAS RN: 61126-42-9
CAS Name: 4-[(E)-2-nitroprop-1-enyl]phenol
OPENEYE Name: 4-[(E)-2-nitroprop-1-enyl]phenol
IUPAC Name: 4-[(E)-2-nitroprop-1-enyl]phenol
SYSTEMATIC NAME: 4-[(E)-2-nitroprop-1-enyl]phenol
MOLECULAR FORMULA: C9H9NO3
MOLECULAR WEIGHT: 179.17266
SMILES: C/C(=C\C1=CC=C(C=C1)O)/[N+](=O)[O-]
Structure:
CAS RN: 49818-48-6
CAS Name: 1-methoxy-3-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
OPENEYE Name: 2-benzyloxy-1-methoxy-3-[(E)-2-nitrovinyl]benzene
IUPAC Name: 1-methoxy-3-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
SYSTEMATIC NAME: 1-methoxy-3-[(E)-2-nitroethenyl]-2-phenylmethoxy-benzene
MOLECULAR FORMULA: C16H15NO4
MOLECULAR WEIGHT: 285.2946
SMILES: COC1=CC=CC(=C1OCC2=CC=CC=C2)/C=C/[N+](=O)[O-]
Structure:
CAS RN: 30868-30-5
CAS Name: (5E)-5-[amino(hydroxy)methylidene]-3-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1H-pyrazol-4-one
OPENEYE Name: (5E)-5-[amino(hydroxy)methylene]-3-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-pyrazol-4-one
IUPAC Name: (5E)-5-[amino(hydroxy)methylidene]-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrazol-4-one
SYSTEMATIC NAME: (5E)-5-[azanyl(oxidanyl)methylidene]-3-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-pyrazol-4-one
MOLECULAR FORMULA: C9H13N3O6
MOLECULAR WEIGHT: 259.21602
SMILES: C(C1C(C(C(O1)C2=NN/C(=C(\N)/O)/C2=O)O)O)O
Structure:
CAS RN: 1690-63-7
CAS Name: 3-hydroxy-10-methoxy-6-benzofuro[3,2-c][1]benzopyranone
OPENEYE Name: 3-hydroxy-10-methoxy-benzofuro[3,2-c]chromen-6-one
IUPAC Name: 3-hydroxy-10-methoxy-[1]benzofuro[3,2-c]chromen-6-one
SYSTEMATIC NAME: 10-methoxy-3-oxidanyl-[1]benzofuro[3,2-c]chromen-6-one
MOLECULAR FORMULA: C16H10O5
MOLECULAR WEIGHT: 282.2476
SMILES: COC1=CC=CC2=C1OC3=C2C(=O)OC4=C3C=CC(=C4)O
Structure:
CAS RN: 6468-49-1
CAS Name: 3-hydroxy-6-benzofuro[3,2-c][1]benzopyranone
OPENEYE Name: 3-hydroxybenzofuro[3,2-c]chromen-6-one
IUPAC Name: 3-hydroxy-[1]benzofuro[3,2-c]chromen-6-one
SYSTEMATIC NAME: 3-oxidanyl-[1]benzofuro[3,2-c]chromen-6-one
MOLECULAR FORMULA: C15H8O4
MOLECULAR WEIGHT: 252.22162
SMILES: C1=CC=C2C(=C1)C3=C(O2)C4=C(C=C(C=C4)O)OC3=O
Structure:
CAS RN: 26903-94-6
CAS Name: N4,N4-diethyl-N1-(1,2,4-triazol-3-ylideneamino)benzene-1,4-diamine
OPENEYE Name: N4,N4-diethyl-N1-(1,2,4-triazol-3-ylideneamino)benzene-1,4-diamine
IUPAC Name: 4-N,4-N-diethyl-1-N-(1,2,4-triazol-3-ylideneamino)benzene-1,4-diamine
SYSTEMATIC NAME: N4,N4-diethyl-N1-(1,2,4-triazol-3-ylideneamino)benzene-1,4-diamine
MOLECULAR FORMULA: C12H16N6
MOLECULAR WEIGHT: 244.29564
SMILES: CCN(CC)C1=CC=C(C=C1)NN=C2N=CN=N2
Structure:
CAS RN: 53959-54-9
CAS Name: [[(E)-2-(phenylmethylthio)ethenyl]thio]methylbenzene
OPENEYE Name: [(E)-2-benzylsulfanylvinyl]sulfanylmethylbenzene
IUPAC Name: [(E)-2-benzylsulfanylethenyl]sulfanylmethylbenzene
SYSTEMATIC NAME: [(E)-2-(phenylmethylsulfanyl)ethenyl]sulfanylmethylbenzene
MOLECULAR FORMULA: C16H16S2
MOLECULAR WEIGHT: 272.42824
SMILES: C1=CC=C(C=C1)CS/C=C/SCC2=CC=CC=C2
Structure:
CAS RN: 788-26-1
CAS Name: [[(E)-2-(phenylmethylthio)ethenyl]thio]methylbenzene
OPENEYE Name: [(E)-2-benzylsulfanylvinyl]sulfanylmethylbenzene
IUPAC Name: [(E)-2-benzylsulfanylethenyl]sulfanylmethylbenzene
SYSTEMATIC NAME: [(E)-2-(phenylmethylsulfanyl)ethenyl]sulfanylmethylbenzene
MOLECULAR FORMULA: C16H16S2
MOLECULAR WEIGHT: 272.42824
SMILES: C1=CC=C(C=C1)CS/C=C/SCC2=CC=CC=C2
Structure:
CAS RN: 41473-43-2
CAS Name: 8-ethyl-7-hydroxy-9-methyl-1,7-dihydro-[1,3]diazepino[2,1-f]purin-10-one
OPENEYE Name: 8-ethyl-7-hydroxy-9-methyl-1,7-dihydro-[1,3]diazepino[2,1-f]purin-10-one
IUPAC Name: 8-ethyl-7-hydroxy-9-methyl-1,7-dihydro-[1,3]diazepino[2,1-f]purin-10-one
SYSTEMATIC NAME: 8-ethyl-9-methyl-7-oxidanyl-1,7-dihydro-[1,3]diazepino[2,1-f]purin-10-one
MOLECULAR FORMULA: C12H13N5O2
MOLECULAR WEIGHT: 259.26392
SMILES: CCC1=C(C(=O)N=C2C3=C(N=CN3)N=CN2C1O)C
Structure:
CAS RN: 31184-53-9
CAS Name: 1,2,4,5-tetrahydrobenzo[g]indazol-7-one
OPENEYE Name: 1,2,4,5-tetrahydrobenzo[g]indazol-7-one
IUPAC Name: 1,2,4,5-tetrahydrobenzo[g]indazol-7-one
SYSTEMATIC NAME: 1,2,4,5-tetrahydrobenzo[g]indazol-7-one
MOLECULAR FORMULA: C11H10N2O
MOLECULAR WEIGHT: 186.2099
SMILES: C1CC2=CNNC2=C3C1=CC(=O)C=C3
Structure:
CAS RN: 92508-46-8
CAS Name: (E)-1-(4-methylphenyl)-1-hexen-3-one
OPENEYE Name: (E)-1-(p-tolyl)hex-1-en-3-one
IUPAC Name: (E)-1-(4-methylphenyl)hex-1-en-3-one
SYSTEMATIC NAME: (E)-1-(4-methylphenyl)hex-1-en-3-one
MOLECULAR FORMULA: C13H16O
MOLECULAR WEIGHT: 188.26554
SMILES: CCCC(=O)/C=C/C1=CC=C(C=C1)C
Structure:
CAS RN: 28616-01-5
CAS Name: 4-[(6-chrysenylamino)methylidene]-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-[(chrysen-6-ylamino)methylene]cyclohexa-2,5-dien-1-one
IUPAC Name: 4-[(chrysen-6-ylamino)methylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[(chrysen-6-ylamino)methylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C25H17NO
MOLECULAR WEIGHT: 347.40858
SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)NC=C5C=CC(=O)C=C5
Structure:
CAS RN: 25236-39-9
CAS Name: [(E)-1-nitroprop-1-enyl]benzene
OPENEYE Name: [(E)-1-nitroprop-1-enyl]benzene
IUPAC Name: [(E)-1-nitroprop-1-enyl]benzene
SYSTEMATIC NAME: [(E)-1-nitroprop-1-enyl]benzene
MOLECULAR FORMULA: C9H9NO2
MOLECULAR WEIGHT: 163.17326
SMILES: C/C=C(\C1=CC=CC=C1)/[N+](=O)[O-]
Structure:
CAS RN: 24886-68-8
CAS Name: 1-(1-adamantyl)-5-[(E)-2-phenylethenyl]tetrazole
OPENEYE Name: 1-(1-adamantyl)-5-[(E)-styryl]tetrazole
IUPAC Name: 1-(1-adamantyl)-5-[(E)-2-phenylethenyl]tetrazole
SYSTEMATIC NAME: 1-(1-adamantyl)-5-[(E)-2-phenylethenyl]-1,2,3,4-tetrazole
MOLECULAR FORMULA: C19H22N4
MOLECULAR WEIGHT: 306.40478
SMILES: C1C2CC3CC1CC(C2)(C3)N4C(=NN=N4)/C=C/C5=CC=CC=C5
Structure:
CAS RN: 35507-72-3
CAS Name: (8E)-pentadeca-1,8-diene
OPENEYE Name: (8E)-pentadeca-1,8-diene
IUPAC Name: (8E)-pentadeca-1,8-diene
SYSTEMATIC NAME: (8E)-pentadeca-1,8-diene
MOLECULAR FORMULA: C15H28
MOLECULAR WEIGHT: 208.38282
SMILES: CCCCCC/C=C/CCCCCC=C
Structure:
CAS RN: 5853-02-1
CAS Name: (E)-N-methyl-3-phenyl-N-[2-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-4-imidazolyl]ethyl]-2-propenamide
OPENEYE Name: (E)-N-methyl-3-phenyl-N-[2-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]imidazol-4-yl]ethyl]prop-2-enamide
IUPAC Name: (E)-N-methyl-3-phenyl-N-[2-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]imidazol-4-yl]ethyl]prop-2-enamide
SYSTEMATIC NAME: (E)-N-[2-[1-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]imidazol-4-yl]ethyl]-N-methyl-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C21H27N3O6
MOLECULAR WEIGHT: 417.45558
SMILES: CN(CCC1=CN(C=N1)C2C(C(C(C(O2)CO)O)O)O)C(=O)/C=C/C3=CC=CC=C3
Structure:
CAS RN: 51469-48-8
CAS Name: (Z)-1-phenyl-1-nonen-3-one
OPENEYE Name: (Z)-1-phenylnon-1-en-3-one
IUPAC Name: (Z)-1-phenylnon-1-en-3-one
SYSTEMATIC NAME: (Z)-1-phenylnon-1-en-3-one
MOLECULAR FORMULA: C15H20O
MOLECULAR WEIGHT: 216.3187
SMILES: CCCCCCC(=O)/C=C\C1=CC=CC=C1
Structure:
CAS RN: 24886-71-3
CAS Name: (E)-N-(1-adamantyl)-3-phenyl-2-propenamide
OPENEYE Name: (E)-N-(1-adamantyl)-3-phenyl-prop-2-enamide
IUPAC Name: (E)-N-(1-adamantyl)-3-phenylprop-2-enamide
SYSTEMATIC NAME: (E)-N-(1-adamantyl)-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C19H23NO
MOLECULAR WEIGHT: 281.39202
SMILES: C1C2CC3CC1CC(C2)(C3)NC(=O)/C=C/C4=CC=CC=C4
Structure:
CAS RN: 53609-50-0
CAS Name: (3E,8E)-cyclodeca-3,8-diene-1,1,6,6-tetracarboxylic acid tetraethyl ester
OPENEYE Name: tetraethyl (3E,8E)-cyclodeca-3,8-diene-1,1,6,6-tetracarboxylate
IUPAC Name: tetraethyl (3E,8E)-cyclodeca-3,8-diene-1,1,6,6-tetracarboxylate
SYSTEMATIC NAME: tetraethyl (3E,8E)-cyclodeca-3,8-diene-1,1,6,6-tetracarboxylate
MOLECULAR FORMULA: C22H32O8
MOLECULAR WEIGHT: 424.48468
SMILES: CCOC(=O)C1(C/C=C/CC(C/C=C/C1)(C(=O)OCC)C(=O)OCC)C(=O)OCC
Structure:
CAS RN: 50502-46-0
CAS Name: (Z)-5-(3,3-dimethyl-2-oxiranyl)-3-methyl-2-pentenoic acid methyl ester
OPENEYE Name: methyl (Z)-5-(3,3-dimethyloxiran-2-yl)-3-methyl-pent-2-enoate
IUPAC Name: methyl (Z)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoate
SYSTEMATIC NAME: methyl (Z)-5-(3,3-dimethyloxiran-2-yl)-3-methyl-pent-2-enoate
MOLECULAR FORMULA: C11H18O3
MOLECULAR WEIGHT: 198.25882
SMILES: C/C(=C/C(=O)OC)/CCC1C(O1)(C)C
Structure:
CAS RN: 6008-44-2
CAS Name: (2Z)-2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)acetic acid
OPENEYE Name: (2Z)-2-(3,3-dimethylnorbornan-2-ylidene)acetic acid
IUPAC Name: (2Z)-2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)acetic acid
SYSTEMATIC NAME: (2Z)-2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)ethanoic acid
MOLECULAR FORMULA: C11H16O2
MOLECULAR WEIGHT: 180.24354
SMILES: CC\1(C2CCC(C2)/C1=C/C(=O)O)C
Structure:
CAS RN: 2750-90-5
CAS Name: (1E)-1-(1-indenylidene)-N,N-dimethylmethanamine
OPENEYE Name: (1E)-1-inden-1-ylidene-N,N-dimethyl-methanamine
IUPAC Name: (1E)-1-inden-1-ylidene-N,N-dimethylmethanamine
SYSTEMATIC NAME: (1E)-1-inden-1-ylidene-N,N-dimethyl-methanamine
MOLECULAR FORMULA: C12H13N
MOLECULAR WEIGHT: 171.23832
SMILES: CN(C)/C=C/1\C=CC2=CC=CC=C21
Structure:
CAS RN: 24463-86-3
CAS Name: (2E)-2-(phenylmethylene)thiolane 1,1-dioxide
OPENEYE Name: (2E)-2-benzylidenethiolane 1,1-dioxide
IUPAC Name: (2E)-2-benzylidenethiolane 1,1-dioxide
SYSTEMATIC NAME: (2E)-2-(phenylmethylidene)thiolane 1,1-dioxide
MOLECULAR FORMULA: C11H12O2S
MOLECULAR WEIGHT: 208.27678
SMILES: C1C/C(=C\C2=CC=CC=C2)/S(=O)(=O)C1
Structure:
No comments:
Post a Comment