CAS RN: 85018-57-1
CAS Name: 3-pyridinecarboxylic acid [2,2,7,7-tetramethyl-8-[oxo(3-pyridinyl)methoxy]octyl] ester
OPENEYE Name: [2,2,7,7-tetramethyl-8-(pyridine-3-carbonyloxy)octyl] pyridine-3-carboxylate
IUPAC Name: [2,2,7,7-tetramethyl-8-(pyridine-3-carbonyloxy)octyl] pyridine-3-carboxylate
SYSTEMATIC NAME: (2,2,7,7-tetramethyl-8-pyridin-3-ylcarbonyloxy-octyl) pyridine-3-carboxylate
MOLECULAR FORMULA: C24H32N2O4
MOLECULAR WEIGHT: 412.52188
SMILES: CC(C)(CCCCC(C)(C)COC(=O)C1=CN=CC=C1)COC(=O)C2=CN=CC=C2
Structure:
CAS RN: 85008-95-3
CAS Name: 2-(11-benzo[b][1]benzazepinyl)-N,N-dimethylethanamine hydrochloride
OPENEYE Name: 2-benzo[b][1]benzazepin-11-yl-N,N-dimethyl-ethanamine hydrochloride
IUPAC Name: 2-benzo[b][1]benzazepin-11-yl-N,N-dimethylethanamine hydrochloride
SYSTEMATIC NAME: 2-benzo[b][1]benzazepin-11-yl-N,N-dimethyl-ethanamine hydrochloride
MOLECULAR FORMULA: C18H21ClN2
MOLECULAR WEIGHT: 300.82574
SMILES: CN(C)CCN1C2=CC=CC=C2C=CC3=CC=CC=C31.Cl
Structure:
CAS RN: 85008-94-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H31ClN4
MOLECULAR WEIGHT: 507.06834
SMILES: CN(C)CCCN1C2=CC=CC=C2C3=C(C4=CC=CC=C41)N(N=C3C5=CC=CC=C5)C6=CC=CC=C6.Cl
Structure:
CAS RN: 85008-93-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H28ClN3O
MOLECULAR WEIGHT: 445.98372
SMILES: CC(CN1C2=CC=CC=C2C3=C(C4=CC=CC=C41)ON=C3C5=CC=CC=C5)CN(C)C.Cl
Structure:
CAS RN: 85008-92-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H24ClN3O
MOLECULAR WEIGHT: 417.93056
SMILES: CN(C)CCN1C2=CC=CC=C2C3=C(C4=CC=CC=C41)ON=C3C5=CC=CC=C5.Cl
Structure:
CAS RN: 85008-91-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C33H33ClN4
MOLECULAR WEIGHT: 521.09492
SMILES: CC(CN1C2=CC=CC=C2C3=C(C4=CC=CC=C41)N(N=C3C5=CC=CC=C5)C6=CC=CC=C6)CN(C)C.Cl
Structure:
CAS RN: 85008-90-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H29ClN4
MOLECULAR WEIGHT: 493.04176
SMILES: CN(C)CCN1C2=CC=CC=C2C3=C(C4=CC=CC=C41)N(N=C3C5=CC=CC=C5)C6=CC=CC=C6.Cl
Structure:
CAS RN: 85008-88-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H26ClN3O
MOLECULAR WEIGHT: 431.95714
SMILES: CN(C)CCCN1C2=CC=CC=C2C3=C(C4=CC=CC=C41)ON=C3C5=CC=CC=C5.Cl
Structure:
CAS RN: 85008-86-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H32Cl2N4
MOLECULAR WEIGHT: 543.52928
SMILES: CN(C)CCCN1C2=CC=CC=C2C3C(C4=CC=CC=C41)N(N=C3C5=CC=C(C=C5)Cl)C6=CC=CC=C6.Cl
Structure:
CAS RN: 85008-85-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H21N3
MOLECULAR WEIGHT: 387.47574
SMILES: C1=CC=C(C=C1)C2=NN(C3C2C4=CC=CC=C4NC5=CC=CC=C35)C6=CC=CC=C6
Structure:
CAS RN: 85008-82-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H31ClN4
MOLECULAR WEIGHT: 495.05764
SMILES: CN(C)CCN1C2=CC=CC=C2C3C(C4=CC=CC=C41)N(N=C3C5=CC=CC=C5)C6=CC=CC=C6.Cl
Structure:
CAS RN: 85008-81-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H33ClN4
MOLECULAR WEIGHT: 509.08422
SMILES: CN(C)CCCN1C2=CC=CC=C2C3C(C4=CC=CC=C41)N(N=C3C5=CC=CC=C5)C6=CC=CC=C6.Cl
Structure:
CAS RN: 84993-80-6
CAS Name: 4-nitrobenzoic acid [(2S)-2-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]-3-methoxy-3-oxopropyl] ester
OPENEYE Name: [(2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methoxy-3-oxo-propyl] 4-nitrobenzoate
IUPAC Name: [(2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methoxy-3-oxopropyl] 4-nitrobenzoate
SYSTEMATIC NAME: [(2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methoxy-3-oxidanylidene-propyl] 4-nitrobenzoate
MOLECULAR FORMULA: C14H15ClN4O8
MOLECULAR WEIGHT: 402.7439
SMILES: COC(=O)[C@H](COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)N(CCCl)N=O
Structure:
CAS RN: 84993-79-3
CAS Name: (2S)-2-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]-3-(2-chloro-1-oxoethoxy)propanoic acid methyl ester
OPENEYE Name: methyl (2S)-3-(2-chloroacetyl)oxy-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate
IUPAC Name: methyl (2S)-3-(2-chloroacetyl)oxy-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate
SYSTEMATIC NAME: methyl (2S)-3-(2-chloranylethanoyloxy)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate
MOLECULAR FORMULA: C9H13Cl2N3O6
MOLECULAR WEIGHT: 330.12202
SMILES: COC(=O)[C@H](COC(=O)CCl)NC(=O)N(CCCl)N=O
Structure:
CAS RN: 84993-78-2
CAS Name: (2S)-3-acetyloxy-2-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]propanoic acid methyl ester
OPENEYE Name: methyl (2S)-3-acetoxy-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate
IUPAC Name: methyl (2S)-3-acetyloxy-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate
SYSTEMATIC NAME: methyl (2S)-3-acetyloxy-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate
MOLECULAR FORMULA: C9H14ClN3O6
MOLECULAR WEIGHT: 295.67696
SMILES: CC(=O)OC[C@@H](C(=O)OC)NC(=O)N(CCCl)N=O
Structure:
CAS RN: 84993-77-1
CAS Name: (2S)-3-[(2-chloroethylamino)-oxomethoxy]-2-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]propanoic acid methyl ester
OPENEYE Name: methyl (2S)-3-(2-chloroethylcarbamoyloxy)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate
IUPAC Name: methyl (2S)-3-(2-chloroethylcarbamoyloxy)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate
SYSTEMATIC NAME: methyl (2S)-3-(2-chloroethylcarbamoyloxy)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate
MOLECULAR FORMULA: C10H16Cl2N4O6
MOLECULAR WEIGHT: 359.16324
SMILES: COC(=O)[C@H](COC(=O)NCCCl)NC(=O)N(CCCl)N=O
Structure:
CAS RN: 84993-76-0
CAS Name: (2S)-2-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]-3-hydroxypropanoic acid methyl ester
OPENEYE Name: methyl (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-propanoate
IUPAC Name: methyl (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxypropanoate
SYSTEMATIC NAME: methyl (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-oxidanyl-propanoate
MOLECULAR FORMULA: C7H12ClN3O5
MOLECULAR WEIGHT: 253.64028
SMILES: COC(=O)[C@H](CO)NC(=O)N(CCCl)N=O
Structure:
CAS RN: 84985-34-2
CAS Name: 3-(dihydroxymethyl)-4-hydroxy-5,6-dimethyl-2-piperidinethione
OPENEYE Name: 3-(dihydroxymethyl)-4-hydroxy-5,6-dimethyl-piperidine-2-thione
IUPAC Name: 3-(dihydroxymethyl)-4-hydroxy-5,6-dimethylpiperidine-2-thione
SYSTEMATIC NAME: 3-[bis(oxidanyl)methyl]-5,6-dimethyl-4-oxidanyl-piperidine-2-thione
MOLECULAR FORMULA: C8H15NO3S
MOLECULAR WEIGHT: 205.2746
SMILES: CC1C(NC(=S)C(C1O)C(O)O)C
Structure:
CAS RN: 84970-25-2
CAS Name: N-(3-chlorophenyl)-2-(4-morpholinyl)butanamide
OPENEYE Name: N-(3-chlorophenyl)-2-morpholino-butanamide
IUPAC Name: N-(3-chlorophenyl)-2-morpholin-4-ylbutanamide
SYSTEMATIC NAME: N-(3-chlorophenyl)-2-morpholin-4-yl-butanamide
MOLECULAR FORMULA: C14H19ClN2O2
MOLECULAR WEIGHT: 282.76586
SMILES: CCC(C(=O)NC1=CC(=CC=C1)Cl)N2CCOCC2
Structure:
CAS RN: 84970-19-4
CAS Name: 2-(butylamino)-N-(3-chlorophenyl)propanamide
OPENEYE Name: 2-(butylamino)-N-(3-chlorophenyl)propanamide
IUPAC Name: 2-(butylamino)-N-(3-chlorophenyl)propanamide
SYSTEMATIC NAME: 2-(butylamino)-N-(3-chlorophenyl)propanamide
MOLECULAR FORMULA: C13H19ClN2O
MOLECULAR WEIGHT: 254.75576
SMILES: CCCCNC(C)C(=O)NC1=CC(=CC=C1)Cl
Structure:
CAS RN: 84968-81-0
CAS Name: 2-[5-methyl-2-(6-nitro-1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]acetic acid
OPENEYE Name: 2-[5-methyl-2-(6-nitro-1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]acetic acid
IUPAC Name: 2-[5-methyl-2-(6-nitro-1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]acetic acid
SYSTEMATIC NAME: 2-[5-methyl-2-(6-nitro-1,3-benzothiazol-2-yl)-3-oxidanylidene-1H-pyrazol-4-yl]ethanoic acid
MOLECULAR FORMULA: C13H10N4O5S
MOLECULAR WEIGHT: 334.3073
SMILES: CC1=C(C(=O)N(N1)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])CC(=O)O
Structure:
CAS RN: 84968-80-9
CAS Name: 2-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid
OPENEYE Name: 2-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid
IUPAC Name: 2-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid
SYSTEMATIC NAME: 2-[2-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]ethanoic acid
MOLECULAR FORMULA: C14H13N3O4S
MOLECULAR WEIGHT: 319.33572
SMILES: CC1=C(C(=O)N(N1)C2=NC3=C(S2)C=C(C=C3)OC)CC(=O)O
Structure:
CAS RN: 84968-79-6
CAS Name: 2-[2-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid
OPENEYE Name: 2-[2-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid
IUPAC Name: 2-[2-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid
SYSTEMATIC NAME: 2-[2-(6-chloranyl-1,3-benzothiazol-2-yl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]ethanoic acid
MOLECULAR FORMULA: C13H10ClN3O3S
MOLECULAR WEIGHT: 323.7548
SMILES: CC1=C(C(=O)N(N1)C2=NC3=C(S2)C=C(C=C3)Cl)CC(=O)O
Structure:
CAS RN: 84968-78-5
CAS Name: 2-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid
OPENEYE Name: 2-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid
IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid
SYSTEMATIC NAME: 2-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]ethanoic acid
MOLECULAR FORMULA: C13H11N3O3S
MOLECULAR WEIGHT: 289.30974
SMILES: CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)CC(=O)O
Structure:
CAS RN: 84968-74-1
CAS Name: 2-[2-[4-(4-bromophenyl)-2-thiazolyl]-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid
OPENEYE Name: 2-[2-[4-(4-bromophenyl)thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid
IUPAC Name: 2-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid
SYSTEMATIC NAME: 2-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]ethanoic acid
MOLECULAR FORMULA: C15H12BrN3O3S
MOLECULAR WEIGHT: 394.24308
SMILES: CC1=C(C(=O)N(N1)C2=NC(=CS2)C3=CC=C(C=C3)Br)CC(=O)O
Structure:
CAS RN: 84968-73-0
CAS Name: 2-[2-[4-(4-chlorophenyl)-2-thiazolyl]-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid
OPENEYE Name: 2-[2-[4-(4-chlorophenyl)thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid
IUPAC Name: 2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]acetic acid
SYSTEMATIC NAME: 2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]ethanoic acid
MOLECULAR FORMULA: C15H12ClN3O3S
MOLECULAR WEIGHT: 349.79208
SMILES: CC1=C(C(=O)N(N1)C2=NC(=CS2)C3=CC=C(C=C3)Cl)CC(=O)O
Structure:
CAS RN: 84968-72-9
CAS Name: 2-[5-methyl-3-oxo-2-(4-phenyl-2-thiazolyl)-1H-pyrazol-4-yl]acetic acid
OPENEYE Name: 2-[5-methyl-3-oxo-2-(4-phenylthiazol-2-yl)-1H-pyrazol-4-yl]acetic acid
IUPAC Name: 2-[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]acetic acid
SYSTEMATIC NAME: 2-[5-methyl-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]ethanoic acid
MOLECULAR FORMULA: C15H13N3O3S
MOLECULAR WEIGHT: 315.34702
SMILES: CC1=C(C(=O)N(N1)C2=NC(=CS2)C3=CC=CC=C3)CC(=O)O
Structure:
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