CAS RN: 324750-04-1
CAS Name: (3S)-3-ethyl-1-(phenylmethyl)piperazine
OPENEYE Name: (3S)-1-benzyl-3-ethyl-piperazine
IUPAC Name: (3S)-1-benzyl-3-ethylpiperazine
SYSTEMATIC NAME: (3S)-3-ethyl-1-(phenylmethyl)piperazine
MOLECULAR FORMULA: C13H20N2
MOLECULAR WEIGHT: 204.3113
SMILES: CC[C@H]1CN(CCN1)CC2=CC=CC=C2
Structure:
CAS RN: 273221-94-6
CAS Name: (2S,4R)-4-cyano-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S,4R)-1-tert-butoxycarbonyl-4-cyano-pyrrolidine-2-carboxylic acid
IUPAC Name: (2S,4R)-4-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S,4R)-4-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C11H16N2O4
MOLECULAR WEIGHT: 240.25574
SMILES: CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)O)C#N
Structure:
CAS RN: 392331-89-4
CAS Name: 3-(methylamino)-1-piperidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 3-(methylamino)piperidine-1-carboxylate
IUPAC Name: tert-butyl 3-(methylamino)piperidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 3-(methylamino)piperidine-1-carboxylate
MOLECULAR FORMULA: C11H22N2O2
MOLECULAR WEIGHT: 214.30458
SMILES: CC(C)(C)OC(=O)N1CCCC(C1)NC
Structure:
CAS RN: 203941-94-0
CAS Name: 3-(methylamino)-1-piperidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 3-(methylamino)piperidine-1-carboxylate
IUPAC Name: tert-butyl 3-(methylamino)piperidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 3-(methylamino)piperidine-1-carboxylate
MOLECULAR FORMULA: C11H22N2O2
MOLECULAR WEIGHT: 214.30458
SMILES: CC(C)(C)OC(=O)N1CCCC(C1)NC
Structure:
CAS RN: 912368-73-1
CAS Name: 3-(methylamino)-1-piperidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 3-(methylamino)piperidine-1-carboxylate
IUPAC Name: tert-butyl 3-(methylamino)piperidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 3-(methylamino)piperidine-1-carboxylate
MOLECULAR FORMULA: C11H22N2O2
MOLECULAR WEIGHT: 214.30458
SMILES: CC(C)(C)OC(=O)N1CCCC(C1)NC
Structure:
CAS RN: 334999-32-5
CAS Name: (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester hydrochloride
OPENEYE Name: O1-tert-butyl O2-methyl (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylate hydrochloride
IUPAC Name: 1-O-tert-butyl 2-O-methyl (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylate hydrochloride
SYSTEMATIC NAME: O1-tert-butyl O2-methyl (2S,4R)-4-azanylpyrrolidine-1,2-dicarboxylate hydrochloride
MOLECULAR FORMULA: C11H21ClN2O4
MOLECULAR WEIGHT: 280.74844
SMILES: CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)OC)N.Cl
Structure:
CAS RN: 487048-28-2
CAS Name: (2S,4S)-4-cyanopyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester
OPENEYE Name: O1-tert-butyl O2-methyl (2S,4S)-4-cyanopyrrolidine-1,2-dicarboxylate
IUPAC Name: 1-O-tert-butyl 2-O-methyl (2S,4S)-4-cyanopyrrolidine-1,2-dicarboxylate
SYSTEMATIC NAME: O1-tert-butyl O2-methyl (2S,4S)-4-cyanopyrrolidine-1,2-dicarboxylate
MOLECULAR FORMULA: C12H18N2O4
MOLECULAR WEIGHT: 254.28232
SMILES: CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)OC)C#N
Structure:
CAS RN: 75380-98-2
CAS Name: 2-methyl-4-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid
OPENEYE Name: 2-methyl-4-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid
IUPAC Name: 2-methyl-4-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid
SYSTEMATIC NAME: 2-methyl-4-oxidanylidene-4-[4-(trifluoromethyl)phenyl]butanoic acid
MOLECULAR FORMULA: C12H11F3O3
MOLECULAR WEIGHT: 260.20915
SMILES: CC(CC(=O)C1=CC=C(C=C1)C(F)(F)F)C(=O)O
Structure:
CAS RN: 740806-54-6
CAS Name: (2R)-2-(phenylmethoxymethyl)-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (2R)-2-(benzyloxymethyl)piperazine-1-carboxylate
IUPAC Name: tert-butyl (2R)-2-(phenylmethoxymethyl)piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2R)-2-(phenylmethoxymethyl)piperazine-1-carboxylate
MOLECULAR FORMULA: C17H26N2O3
MOLECULAR WEIGHT: 306.39994
SMILES: CC(C)(C)OC(=O)N1CCNC[C@@H]1COCC2=CC=CC=C2
Structure:
CAS RN: 660862-41-9
CAS Name: (3S)-3-[2-(methylthio)ethyl]-1-(phenylmethyl)piperazine
OPENEYE Name: (3S)-1-benzyl-3-(2-methylsulfanylethyl)piperazine
IUPAC Name: (3S)-1-benzyl-3-(2-methylsulfanylethyl)piperazine
SYSTEMATIC NAME: (3S)-3-(2-methylsulfanylethyl)-1-(phenylmethyl)piperazine
MOLECULAR FORMULA: C14H22N2S
MOLECULAR WEIGHT: 250.40288
SMILES: CSCC[C@H]1CN(CCN1)CC2=CC=CC=C2
Structure:
CAS RN: 142554-22-1
CAS Name: 9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-(2-methylpropylamino)-3H-purin-6-one
OPENEYE Name: 9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-(isobutylamino)-3H-purin-6-one
IUPAC Name: 9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(2-methylpropylamino)-3H-purin-6-one
SYSTEMATIC NAME: 9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2-(2-methylpropylamino)-3H-purin-6-one
MOLECULAR FORMULA: C14H21N5O4
MOLECULAR WEIGHT: 323.34764
SMILES: CC(C)CNC1=NC(=O)C2=C(N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)CO)O
Structure:
CAS RN: 232275-73-9
CAS Name: 2-chloro-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid
OPENEYE Name: 4-(tert-butoxycarbonylamino)-2-chloro-benzoic acid
IUPAC Name: 2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
SYSTEMATIC NAME: 2-chloranyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
MOLECULAR FORMULA: C12H14ClNO4
MOLECULAR WEIGHT: 271.69686
SMILES: CC(C)(C)OC(=O)NC1=CC(=C(C=C1)C(=O)O)Cl
Structure:
CAS RN: 160450-12-4
CAS Name: 4-chloro-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid
OPENEYE Name: 3-(tert-butoxycarbonylamino)-4-chloro-benzoic acid
IUPAC Name: 4-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
SYSTEMATIC NAME: 4-chloranyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
MOLECULAR FORMULA: C12H14ClNO4
MOLECULAR WEIGHT: 271.69686
SMILES: CC(C)(C)OC(=O)NC1=C(C=CC(=C1)C(=O)O)Cl
Structure:
CAS RN: 616224-61-4
CAS Name: 2-chloro-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid
OPENEYE Name: 2-(tert-butoxycarbonylamino)-6-chloro-benzoic acid
IUPAC Name: 2-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
SYSTEMATIC NAME: 2-chloranyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
MOLECULAR FORMULA: C12H14ClNO4
MOLECULAR WEIGHT: 271.69686
SMILES: CC(C)(C)OC(=O)NC1=C(C(=CC=C1)Cl)C(=O)O
Structure:
CAS RN: 160977-92-4
CAS Name: 4-[[9H-fluoren-9-ylmethoxy(oxo)methyl]-methylamino]benzoic acid
OPENEYE Name: 4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]benzoic acid
IUPAC Name: 4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]benzoic acid
SYSTEMATIC NAME: 4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]benzoic acid
MOLECULAR FORMULA: C23H19NO4
MOLECULAR WEIGHT: 373.40126
SMILES: CN(C1=CC=C(C=C1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
Structure:
CAS RN: 186320-16-1
CAS Name: 2-chloro-5-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]benzoic acid
OPENEYE Name: 2-chloro-5-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
IUPAC Name: 2-chloro-5-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
SYSTEMATIC NAME: 2-chloranyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
MOLECULAR FORMULA: C22H16ClNO4
MOLECULAR WEIGHT: 393.81974
SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CC(=C(C=C4)Cl)C(=O)O
Structure:
CAS RN: 186320-13-8
CAS Name: 2-chloro-4-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]benzoic acid
OPENEYE Name: 2-chloro-4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
IUPAC Name: 2-chloro-4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
SYSTEMATIC NAME: 2-chloranyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid
MOLECULAR FORMULA: C22H16ClNO4
MOLECULAR WEIGHT: 393.81974
SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CC(=C(C=C4)C(=O)O)Cl
Structure:
CAS RN: 169447-86-3
CAS Name: (2S)-2-(phenylmethyl)-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (2S)-2-benzylpiperazine-1-carboxylate
IUPAC Name: tert-butyl (2S)-2-benzylpiperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2S)-2-(phenylmethyl)piperazine-1-carboxylate
MOLECULAR FORMULA: C16H24N2O2
MOLECULAR WEIGHT: 276.37396
SMILES: CC(C)(C)OC(=O)N1CCNC[C@@H]1CC2=CC=CC=C2
Structure:
CAS RN: 5368-32-1
CAS Name: 3-phenyl-1-(phenylmethyl)piperazine
OPENEYE Name: 1-benzyl-3-phenyl-piperazine
IUPAC Name: 1-benzyl-3-phenylpiperazine
SYSTEMATIC NAME: 3-phenyl-1-(phenylmethyl)piperazine
MOLECULAR FORMULA: C17H20N2
MOLECULAR WEIGHT: 252.3541
SMILES: C1CN(CC(N1)C2=CC=CC=C2)CC3=CC=CC=C3
Structure:
CAS RN: 674792-05-3
CAS Name: (2S)-2-propan-2-yl-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (2S)-2-isopropylpiperazine-1-carboxylate
IUPAC Name: tert-butyl (2S)-2-propan-2-ylpiperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2S)-2-propan-2-ylpiperazine-1-carboxylate
MOLECULAR FORMULA: C12H24N2O2
MOLECULAR WEIGHT: 228.33116
SMILES: CC(C)[C@H]1CNCCN1C(=O)OC(C)(C)C
Structure:
CAS RN: 324748-62-1
CAS Name: (3S)-1-(phenylmethyl)-3-propan-2-ylpiperazine
OPENEYE Name: (3S)-1-benzyl-3-isopropyl-piperazine
IUPAC Name: (3S)-1-benzyl-3-propan-2-ylpiperazine
SYSTEMATIC NAME: (3S)-1-(phenylmethyl)-3-propan-2-yl-piperazine
MOLECULAR FORMULA: C14H22N2
MOLECULAR WEIGHT: 218.33788
SMILES: CC(C)[C@H]1CN(CCN1)CC2=CC=CC=C2
Structure:
CAS RN: 674792-06-4
CAS Name: (2S)-2-(2-methylpropyl)-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (2S)-2-isobutylpiperazine-1-carboxylate
IUPAC Name: tert-butyl (2S)-2-(2-methylpropyl)piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2S)-2-(2-methylpropyl)piperazine-1-carboxylate
MOLECULAR FORMULA: C13H26N2O2
MOLECULAR WEIGHT: 242.35774
SMILES: CC(C)C[C@H]1CNCCN1C(=O)OC(C)(C)C
Structure:
CAS RN: 42599-18-8
CAS Name: hex-5-en-2-ylboronic acid
OPENEYE Name: 1-methylpent-4-enylboronic acid
IUPAC Name: hex-5-en-2-ylboronic acid
SYSTEMATIC NAME: hex-5-en-2-ylboronic acid
MOLECULAR FORMULA: C6H13BO2
MOLECULAR WEIGHT: 127.97722
SMILES: B(C(C)CCC=C)(O)O
Structure:
CAS RN: 5198-80-1
CAS Name: 2-bromo-4-thiazolecarboxaldehyde
OPENEYE Name: 2-bromothiazole-4-carbaldehyde
IUPAC Name: 2-bromo-1,3-thiazole-4-carbaldehyde
SYSTEMATIC NAME: 2-bromanyl-1,3-thiazole-4-carbaldehyde
MOLECULAR FORMULA: C4H2BrNOS
MOLECULAR WEIGHT: 192.03378
SMILES: C1=C(N=C(S1)Br)C=O
Structure:
CAS RN: 16872-09-6
CAS Name: (11Z)-1$l^{2},2$l^{2},3$l^{2},4$l^{2},5$l^{2},6$l^{2},7$l^{2},8$l^{2},9$l^{2},10$l^{2}-decaboracyclododec-11-ene
OPENEYE Name: (11Z)-1$l^{2},2$l^{2},3$l^{2},4$l^{2},5$l^{2},6$l^{2},7$l^{2},8$l^{2},9$l^{2},10$l^{2}-decaboracyclododec-11-ene
IUPAC Name: (11Z)-1$l^{2},2$l^{2},3$l^{2},4$l^{2},5$l^{2},6$l^{2},7$l^{2},8$l^{2},9$l^{2},10$l^{2}-decaboracyclododec-11-ene
SYSTEMATIC NAME: (11Z)-1$l^{2},2$l^{2},3$l^{2},4$l^{2},5$l^{2},6$l^{2},7$l^{2},8$l^{2},9$l^{2},10$l^{2}-decaboracyclododec-11-ene
MOLECULAR FORMULA: C2H2B10
MOLECULAR WEIGHT: 134.14728
SMILES: [B]1[B][B][B][B][B]/C=C\[B][B][B][B]1
Structure:
CAS RN: 17288-48-1
CAS Name: 5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxaldehyde
OPENEYE Name: 5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde
IUPAC Name: 5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde
SYSTEMATIC NAME: 5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carbaldehyde
MOLECULAR FORMULA: C9H8N2O2
MOLECULAR WEIGHT: 176.17202
SMILES: COC1=NC=C2C(=C1)C=C(N2)C=O
Structure:
CAS RN: 17288-43-6
CAS Name: (5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol
OPENEYE Name: (5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol
IUPAC Name: (5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol
SYSTEMATIC NAME: (5-methoxy-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol
MOLECULAR FORMULA: C9H10N2O2
MOLECULAR WEIGHT: 178.1879
SMILES: COC1=NC=C2C(=C1)C=C(N2)CO
Structure:
CAS RN: 17288-36-7
CAS Name: 5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
OPENEYE Name: 5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
IUPAC Name: 5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
SYSTEMATIC NAME: 5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
MOLECULAR FORMULA: C9H8N2O3
MOLECULAR WEIGHT: 192.17142
SMILES: COC1=NC=C2C(=C1)C=C(N2)C(=O)O
Structure:
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