CAS RN: 30747-87-6
CAS Name: 3-chloro-5-nitro-1,2-benzothiazole
OPENEYE Name: 3-chloro-5-nitro-1,2-benzothiazole
IUPAC Name: 3-chloro-5-nitro-1,2-benzothiazole
SYSTEMATIC NAME: 3-chloranyl-5-nitro-1,2-benzothiazole
MOLECULAR FORMULA: C7H3ClN2O2S
MOLECULAR WEIGHT: 214.62892
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=NS2)Cl
Structure:
CAS RN: 107819-11-4
CAS Name: N1-dodecylpropane-1,2-diamine
OPENEYE Name: N1-dodecylpropane-1,2-diamine
IUPAC Name: 1-N-dodecylpropane-1,2-diamine
SYSTEMATIC NAME: N1-dodecylpropane-1,2-diamine
MOLECULAR FORMULA: C15H34N2
MOLECULAR WEIGHT: 242.44386
SMILES: CCCCCCCCCCCCNCC(C)N
Structure:
CAS RN: 115957-87-4
CAS Name: N1-dodecylpropane-1,2-diamine
OPENEYE Name: N1-dodecylpropane-1,2-diamine
IUPAC Name: 1-N-dodecylpropane-1,2-diamine
SYSTEMATIC NAME: N1-dodecylpropane-1,2-diamine
MOLECULAR FORMULA: C15H34N2
MOLECULAR WEIGHT: 242.44386
SMILES: CCCCCCCCCCCCNCC(C)N
Structure:
CAS RN: 118757-00-9
CAS Name: N1-dodecylpropane-1,2-diamine
OPENEYE Name: N1-dodecylpropane-1,2-diamine
IUPAC Name: 1-N-dodecylpropane-1,2-diamine
SYSTEMATIC NAME: N1-dodecylpropane-1,2-diamine
MOLECULAR FORMULA: C15H34N2
MOLECULAR WEIGHT: 242.44386
SMILES: CCCCCCCCCCCCNCC(C)N
Structure:
CAS RN: 30677-46-4
CAS Name: N1-dodecylpropane-1,2-diamine
OPENEYE Name: N1-dodecylpropane-1,2-diamine
IUPAC Name: 1-N-dodecylpropane-1,2-diamine
SYSTEMATIC NAME: N1-dodecylpropane-1,2-diamine
MOLECULAR FORMULA: C15H34N2
MOLECULAR WEIGHT: 242.44386
SMILES: CCCCCCCCCCCCNCC(C)N
Structure:
CAS RN: 35255-61-9
CAS Name: N1-dodecylpropane-1,2-diamine
OPENEYE Name: N1-dodecylpropane-1,2-diamine
IUPAC Name: 1-N-dodecylpropane-1,2-diamine
SYSTEMATIC NAME: N1-dodecylpropane-1,2-diamine
MOLECULAR FORMULA: C15H34N2
MOLECULAR WEIGHT: 242.44386
SMILES: CCCCCCCCCCCCNCC(C)N
Structure:
CAS RN: 30460-59-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H30O4
MOLECULAR WEIGHT: 334.4498
SMILES: CC1=CC23C[C@H]([C@]4([C@@H](C[C@@H](C4(C)C)O)C(=C)[C@@H]2CCC1C3O)O)O
Structure:
CAS RN: 30314-44-4
CAS Name: 2,2-dimethyl-1-(4-methylphenyl)-1-propanone
OPENEYE Name: 2,2-dimethyl-1-(p-tolyl)propan-1-one
IUPAC Name: 2,2-dimethyl-1-(4-methylphenyl)propan-1-one
SYSTEMATIC NAME: 2,2-dimethyl-1-(4-methylphenyl)propan-1-one
MOLECULAR FORMULA: C12H16O
MOLECULAR WEIGHT: 176.25484
SMILES: CC1=CC=C(C=C1)C(=O)C(C)(C)C
Structure:
CAS RN: 30194-63-9
CAS Name: 4-amino-N-[2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]benzamide
OPENEYE Name: 4-amino-N-[2-[4-(2-pyridyl)piperazin-1-yl]ethyl]benzamide
IUPAC Name: 4-amino-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
SYSTEMATIC NAME: 4-azanyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
MOLECULAR FORMULA: C18H23N5O
MOLECULAR WEIGHT: 325.40812
SMILES: C1CN(CCN1CCNC(=O)C2=CC=C(C=C2)N)C3=CC=CC=N3
Structure:
CAS RN: 30117-73-8
CAS Name: [4-(1-indenylidenemethyl)phenyl]-trimethylammonium iodide
OPENEYE Name: [4-(inden-1-ylidenemethyl)phenyl]-trimethyl-ammonium iodide
IUPAC Name: [4-(inden-1-ylidenemethyl)phenyl]-trimethylazanium iodide
SYSTEMATIC NAME: [4-(inden-1-ylidenemethyl)phenyl]-trimethyl-azanium iodide
MOLECULAR FORMULA: C19H20IN
MOLECULAR WEIGHT: 389.27327
SMILES: C[N+](C)(C)C1=CC=C(C=C1)C=C2C=CC3=CC=CC=C32.[I-]
Structure:
CAS RN: 30011-11-1
CAS Name: 2,3-bis(4-methoxyphenyl)-5-methyl-1H-pyrrole
OPENEYE Name: 2,3-bis(4-methoxyphenyl)-5-methyl-1H-pyrrole
IUPAC Name: 2,3-bis(4-methoxyphenyl)-5-methyl-1H-pyrrole
SYSTEMATIC NAME: 2,3-bis(4-methoxyphenyl)-5-methyl-1H-pyrrole
MOLECULAR FORMULA: C19H19NO2
MOLECULAR WEIGHT: 293.35966
SMILES: CC1=CC(=C(N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
Structure:
CAS RN: 29900-15-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H46Cl2N2O6
MOLECULAR WEIGHT: 709.69834
SMILES: C[N+]1(CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@H](CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC)C.[Cl-].[Cl-]
Structure:
CAS RN: 29870-99-3
CAS Name: strontium 2-hydroxypropanoate
OPENEYE Name: strontium 2-hydroxypropanoate
IUPAC Name: strontium 2-hydroxypropanoate
SYSTEMATIC NAME: strontium 2-oxidanylpropanoate
MOLECULAR FORMULA: C6H10O6Sr
MOLECULAR WEIGHT: 265.76
SMILES: CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Sr+2]
Structure:
CAS RN: 29706-96-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H16O7
MOLECULAR WEIGHT: 392.35824
SMILES: CC1=CC(=C2C3=C1C(=O)C=C4C3(C5=C(C2=O)C(=CC(=C5C(=O)C4(C)C)O)O)O)O
Structure:
CAS RN: 29427-51-8
CAS Name: acetic acid 2-[4-[bis(2-chloroethyl)amino]phenyl]ethyl ester
OPENEYE Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]ethyl acetate
IUPAC Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]ethyl acetate
SYSTEMATIC NAME: 2-[4-[bis(2-chloroethyl)amino]phenyl]ethyl ethanoate
MOLECULAR FORMULA: C14H19Cl2NO2
MOLECULAR WEIGHT: 304.21216
SMILES: CC(=O)OCCC1=CC=C(C=C1)N(CCCl)CCCl
Structure:
CAS RN: 29181-23-5
CAS Name: (2S)-1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)-2-propanol hydrochloride
OPENEYE Name: (2S)-1-(2-allyloxyphenoxy)-3-(isopropylamino)propan-2-ol hydrochloride
IUPAC Name: (2S)-1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol hydrochloride
SYSTEMATIC NAME: (2S)-1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol hydrochloride
MOLECULAR FORMULA: C15H24ClNO3
MOLECULAR WEIGHT: 301.80896
SMILES: CC(C)NC[C@@H](COC1=CC=CC=C1OCC=C)O.Cl
Structure:
CAS RN: 28985-91-3
CAS Name: ethane-1,2-diamine; formaldehyde; phenol
OPENEYE Name: ethane-1,2-diamine; formaldehyde; phenol
IUPAC Name: ethane-1,2-diamine; formaldehyde; phenol
SYSTEMATIC NAME: ethane-1,2-diamine; methanal; phenol
MOLECULAR FORMULA: C9H16N2O2
MOLECULAR WEIGHT: 184.23554
SMILES: C=O.C1=CC=C(C=C1)O.C(CN)N
Structure:
CAS RN: 28930-30-5
CAS Name: 1,2,3,4,5-pentanitro-6-[(2-nitrophenyl)thio]benzene
OPENEYE Name: 1,2,3,4,5-pentanitro-6-(2-nitrophenyl)sulfanyl-benzene
IUPAC Name: 1,2,3,4,5-pentanitro-6-(2-nitrophenyl)sulfanylbenzene
SYSTEMATIC NAME: 1,2,3,4,5-pentanitro-6-(2-nitrophenyl)sulfanyl-benzene
MOLECULAR FORMULA: C12H4N6O12S
MOLECULAR WEIGHT: 456.25816
SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])SC2=C(C(=C(C(=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 28782-19-6
CAS Name: butanedioic acid; 3-methyl-4-oxo-2-phenyl-1-benzopyran-8-carboxylic acid 2-(1-piperidinyl)ethyl ester
OPENEYE Name: 2-(1-piperidyl)ethyl 3-methyl-4-oxo-2-phenyl-chromene-8-carboxylate; succinic acid
IUPAC Name: butanedioic acid; 2-piperidin-1-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
SYSTEMATIC NAME: butanedioic acid; 2-piperidin-1-ylethyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate
MOLECULAR FORMULA: C28H31NO8
MOLECULAR WEIGHT: 509.54764
SMILES: CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4.C(CC(=O)O)C(=O)O
Structure:
CAS RN: 28522-57-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H14N4
MOLECULAR WEIGHT: 334.37336
SMILES: CC1=CC2=C(C=C1)N=C3C4=CC=CC=C4N=C5N3C2=NC6=CC=CC=C65
Structure:
CAS RN: 28472-18-6
CAS Name: 2,2,3-trimethylhexanedioic acid
OPENEYE Name: 2,2,3-trimethylhexanedioic acid
IUPAC Name: 2,2,3-trimethylhexanedioic acid
SYSTEMATIC NAME: 2,2,3-trimethylhexanedioic acid
MOLECULAR FORMULA: C9H16O4
MOLECULAR WEIGHT: 188.22094
SMILES: CC(CCC(=O)O)C(C)(C)C(=O)O
Structure:
CAS RN: 28193-21-7
CAS Name: 3-(dimethylamino)-1-methoxy-1,1-diphenyl-2-propanone hydrochloride
OPENEYE Name: 3-(dimethylamino)-1-methoxy-1,1-diphenyl-propan-2-one hydrochloride
IUPAC Name: 3-(dimethylamino)-1-methoxy-1,1-diphenylpropan-2-one hydrochloride
SYSTEMATIC NAME: 3-(dimethylamino)-1-methoxy-1,1-diphenyl-propan-2-one hydrochloride
MOLECULAR FORMULA: C18H22ClNO2
MOLECULAR WEIGHT: 319.82578
SMILES: CN(C)CC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OC.Cl
Structure:
CAS RN: 28175-97-5
CAS Name: 2-(2-hydroxypropan-2-yl)-6-methyl-1H-pyrimidin-4-one
OPENEYE Name: 2-(1-hydroxy-1-methyl-ethyl)-6-methyl-1H-pyrimidin-4-one
IUPAC Name: 2-(2-hydroxypropan-2-yl)-6-methyl-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-methyl-2-(2-oxidanylpropan-2-yl)-1H-pyrimidin-4-one
MOLECULAR FORMULA: C8H12N2O2
MOLECULAR WEIGHT: 168.19308
SMILES: CC1=CC(=O)N=C(N1)C(C)(C)O
Structure:
CAS RN: 27726-31-4
CAS Name: (6R,7R)-7-[(2-amino-1-oxo-2-phenylethyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester hydrochloride
OPENEYE Name: 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[(2-amino-2-phenyl-acetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride
IUPAC Name: 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[(2-amino-2-phenylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride
SYSTEMATIC NAME: 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[(2-azanyl-2-phenyl-ethanoyl)amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride
MOLECULAR FORMULA: C22H28ClN3O6S
MOLECULAR WEIGHT: 497.99222
SMILES: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)OCOC(=O)C(C)(C)C.Cl
Structure:
CAS RN: 603-81-6
CAS Name: 2,3-diaminobenzoic acid
OPENEYE Name: 2,3-diaminobenzoic acid
IUPAC Name: 2,3-diaminobenzoic acid
SYSTEMATIC NAME: 2,3-bis(azanyl)benzoic acid
MOLECULAR FORMULA: C7H8N2O2
MOLECULAR WEIGHT: 152.15062
SMILES: C1=CC(=C(C(=C1)N)N)C(=O)O
Structure:
CAS RN: 27576-04-1
CAS Name: 2,3-diaminobenzoic acid
OPENEYE Name: 2,3-diaminobenzoic acid
IUPAC Name: 2,3-diaminobenzoic acid
SYSTEMATIC NAME: 2,3-bis(azanyl)benzoic acid
MOLECULAR FORMULA: C7H8N2O2
MOLECULAR WEIGHT: 152.15062
SMILES: C1=CC(=C(C(=C1)N)N)C(=O)O
Structure:
CAS RN: 27574-24-9
CAS Name: 3-(6H-benzo[c][1]benzothiepin-11-ylidene)-8-methyl-8-azabicyclo[3.2.1]octane
OPENEYE Name: 3-(6H-benzo[c][1]benzothiepin-11-ylidene)-8-methyl-8-azabicyclo[3.2.1]octane
IUPAC Name: 3-(6H-benzo[c][1]benzothiepin-11-ylidene)-8-methyl-8-azabicyclo[3.2.1]octane
SYSTEMATIC NAME: 3-(6H-benzo[c][1]benzothiepin-11-ylidene)-8-methyl-8-azabicyclo[3.2.1]octane
MOLECULAR FORMULA: C22H23NS
MOLECULAR WEIGHT: 333.48972
SMILES: CN1C2CCC1CC(=C3C4=CC=CC=C4CSC5=CC=CC=C53)C2
Structure:
CAS RN: 27574-25-0
CAS Name: 3-(6H-benzo[c][1]benzothiepin-11-ylidene)-8-methyl-8-azabicyclo[3.2.1]octane hydrochloride
OPENEYE Name: 3-(6H-benzo[c][1]benzothiepin-11-ylidene)-8-methyl-8-azabicyclo[3.2.1]octane hydrochloride
IUPAC Name: 3-(6H-benzo[c][1]benzothiepin-11-ylidene)-8-methyl-8-azabicyclo[3.2.1]octane hydrochloride
SYSTEMATIC NAME: 3-(6H-benzo[c][1]benzothiepin-11-ylidene)-8-methyl-8-azabicyclo[3.2.1]octane hydrochloride
MOLECULAR FORMULA: C22H24ClNS
MOLECULAR WEIGHT: 369.95066
SMILES: CN1C2CCC1CC(=C3C4=CC=CC=C4CSC5=CC=CC=C53)C2.Cl
Structure:
CAS RN: 27058-84-0
CAS Name: 1-(2-methoxyphenoxy)-3-(propan-2-ylamino)-2-propanol hydrochloride
OPENEYE Name: 1-(isopropylamino)-3-(2-methoxyphenoxy)propan-2-ol hydrochloride
IUPAC Name: 1-(2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol hydrochloride
SYSTEMATIC NAME: 1-(2-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol hydrochloride
MOLECULAR FORMULA: C13H22ClNO3
MOLECULAR WEIGHT: 275.77168
SMILES: CC(C)NCC(COC1=CC=CC=C1OC)O.Cl
Structure:
CAS RN: 27058-83-9
CAS Name: 4-chloro-1,3-benzothiazol-2-amine hydrobromide
OPENEYE Name: 4-chloro-1,3-benzothiazol-2-amine hydrobromide
IUPAC Name: 4-chloro-1,3-benzothiazol-2-amine hydrobromide
SYSTEMATIC NAME: 4-chloranyl-1,3-benzothiazol-2-amine hydrobromide
MOLECULAR FORMULA: C7H6BrClN2S
MOLECULAR WEIGHT: 265.55794
SMILES: C1=CC2=C(C(=C1)Cl)N=C(S2)N.Br
Structure:
CAS RN: 27022-50-0
CAS Name: 3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]isoquinoline
OPENEYE Name: 3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]isoquinoline
IUPAC Name: 3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]isoquinoline
SYSTEMATIC NAME: 3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]isoquinoline
MOLECULAR FORMULA: C11H6F3N3
MOLECULAR WEIGHT: 237.18065
SMILES: C1=CC=C2C(=C1)C=CN3C2=NN=C3C(F)(F)F
Structure:
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