CAS RN: 86781-07-9
CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(cyclopropylmethyl) ester O3-methyl ester
OPENEYE Name: O5-(cyclopropylmethyl) O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: 5-O-(cyclopropylmethyl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: O5-(cyclopropylmethyl) O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C20H22N2O6
MOLECULAR WEIGHT: 386.39848
SMILES: CC1=C(C(C(=C(N1)C)C(=O)OCC2CC2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC
Structure:
CAS RN: 86708-78-3
CAS Name: [(3R,4S,5R)-3,4-dihydroxy-5-methyl-2-oxolanyl] dihydrogen phosphate
OPENEYE Name: [(3R,4S,5R)-3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl] dihydrogen phosphate
IUPAC Name: [(3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl] dihydrogen phosphate
SYSTEMATIC NAME: [(3R,4S,5R)-5-methyl-3,4-bis(oxidanyl)oxolan-2-yl] dihydrogen phosphate
MOLECULAR FORMULA: C5H11O7P
MOLECULAR WEIGHT: 214.110401
SMILES: C[C@@H]1[C@H]([C@H](C(O1)OP(=O)(O)O)O)O
Structure:
CAS RN: 86703-96-0
CAS Name: 3-(1,3-dioxo-2-benzo[de]isoquinolinyl)propanoic acid
OPENEYE Name: 3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanoic acid
IUPAC Name: 3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanoic acid
SYSTEMATIC NAME: 3-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propanoic acid
MOLECULAR FORMULA: C15H11NO4
MOLECULAR WEIGHT: 269.25214
SMILES: C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCC(=O)O
Structure:
CAS RN: 86702-45-6
CAS Name: (3S)-3-[[(2R)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-2-oxo-1-azetidinesulfonic acid
OPENEYE Name: (3S)-3-[[(2R)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-2-oxo-azetidine-1-sulfonic acid
IUPAC Name: (3S)-3-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-2-oxoazetidine-1-sulfonic acid
SYSTEMATIC NAME: (3S)-3-[[(2R)-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-(4-hydroxyphenyl)ethanoyl]amino]-2-oxidanylidene-azetidine-1-sulfonic acid
MOLECULAR FORMULA: C18H21N5O9S
MOLECULAR WEIGHT: 483.45244
SMILES: CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@H]3CN(C3=O)S(=O)(=O)O
Structure:
CAS RN: 86702-02-5
CAS Name: (1R,2S)-5,7,8-trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene
OPENEYE Name: (1R,2S)-5,7,8-trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene
IUPAC Name: (1R,2S)-5,7,8-trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene
SYSTEMATIC NAME: (1R,2S)-5,7,8-trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene
MOLECULAR FORMULA: C24H30O6
MOLECULAR WEIGHT: 414.4914
SMILES: C[C@H]1[C@@H](C2=C(C=C1C)C(=CC(=C2OC)OC)OC)C3=CC(=C(C=C3OC)OC)OC
Structure:
CAS RN: 86646-88-0
CAS Name: 3-(2-hydroxyethoxymethyl)-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
OPENEYE Name: 3-(2-hydroxyethoxymethyl)-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
IUPAC Name: 3-(2-hydroxyethoxymethyl)-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
SYSTEMATIC NAME: 3-(2-hydroxyethyloxymethyl)-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
MOLECULAR FORMULA: C9H14N4O3
MOLECULAR WEIGHT: 226.23246
SMILES: C1C(C2=C(NC=N1)N(C=N2)COCCO)O
Structure:
CAS RN: 86630-17-3
CAS Name: (2S)-1-[(1R)-1-carboxy-4-(diaminomethylideneamino)butyl]-5-oxo-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(1R)-1-carboxy-4-guanidino-butyl]-5-oxo-pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(1R)-1-carboxy-4-(diaminomethylideneamino)butyl]-5-oxopyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(2R)-5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]-5-oxidanylidene-pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C11H18N4O5
MOLECULAR WEIGHT: 286.28442
SMILES: C1CC(=O)N([C@@H]1C(=O)O)[C@H](CCCN=C(N)N)C(=O)O
Structure:
CAS RN: 92934-64-0
CAS Name: [(2R,3R)-2,6-dihydroxy-6-methyl-2-[(2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-3-yl] dihydrogen phosphate
OPENEYE Name: [(1R)-4-hydroxy-1-[(1R)-1-hydroxy-1-[(2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-4-methyl-pentyl] dihydrogen phosphate
IUPAC Name: [(2R,3R)-2,6-dihydroxy-6-methyl-2-[(2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-3-yl] dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3R)-2-[(2S,3R,5R,9R,10R,13R,17S)-10,13-dimethyl-2,3,14-tris(oxidanyl)-6-oxidanylidene-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-2,6-bis(oxidanyl)heptan-3-yl] dihydrogen phosphate
MOLECULAR FORMULA: C27H45O10P
MOLECULAR WEIGHT: 560.613961
SMILES: C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)OP(=O)(O)O)O)O
Structure:
CAS RN: 92924-85-1
CAS Name: 1,1,1-trifluoro-4-phenyl-2-butanone
OPENEYE Name: 1,1,1-trifluoro-4-phenyl-butan-2-one
IUPAC Name: 1,1,1-trifluoro-4-phenylbutan-2-one
SYSTEMATIC NAME: 1,1,1-tris(fluoranyl)-4-phenyl-butan-2-one
MOLECULAR FORMULA: C10H9F3O
MOLECULAR WEIGHT: 202.17307
SMILES: C1=CC=C(C=C1)CCC(=O)C(F)(F)F
Structure:
CAS RN: 92832-17-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H44O3
MOLECULAR WEIGHT: 428.64716
SMILES: C[C@@H]1CCC2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC(=C6[C@@]5(CC[C@@H](C6)O)C)C)C)C)OC1
Structure:
CAS RN: 26447-09-6
CAS Name: 1-[[4-(1-piperazinylmethyl)phenyl]methyl]piperazine
OPENEYE Name: 1-[[4-(piperazin-1-ylmethyl)phenyl]methyl]piperazine
IUPAC Name: 1-[[4-(piperazin-1-ylmethyl)phenyl]methyl]piperazine
SYSTEMATIC NAME: 1-[[4-(piperazin-1-ylmethyl)phenyl]methyl]piperazine
MOLECULAR FORMULA: C16H26N4
MOLECULAR WEIGHT: 274.40444
SMILES: C1CN(CCN1)CC2=CC=C(C=C2)CN3CCNCC3
Structure:
CAS RN: 25372-03-6
CAS Name: 4-(1-imidazolyl)benzonitrile
OPENEYE Name: 4-imidazol-1-ylbenzonitrile
IUPAC Name: 4-imidazol-1-ylbenzonitrile
SYSTEMATIC NAME: 4-imidazol-1-ylbenzenecarbonitrile
MOLECULAR FORMULA: C10H7N3
MOLECULAR WEIGHT: 169.18268
SMILES: C1=CC(=CC=C1C#N)N2C=CN=C2
Structure:
CAS RN: 25514-64-1
CAS Name: 2-amino-2-[2-[bis(2-chloroethyl)amino]phenyl]propanoic acid
OPENEYE Name: 2-amino-2-[2-[bis(2-chloroethyl)amino]phenyl]propanoic acid
IUPAC Name: 2-amino-2-[2-[bis(2-chloroethyl)amino]phenyl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-2-[2-[bis(2-chloroethyl)amino]phenyl]propanoic acid
MOLECULAR FORMULA: C13H18Cl2N2O2
MOLECULAR WEIGHT: 305.20022
SMILES: CC(C1=CC=CC=C1N(CCCl)CCCl)(C(=O)O)N
Structure:
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