CAS RN: 61014-94-6
CAS Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-propan-2-ylpiperazine; methanesulfonic acid
OPENEYE Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-isopropyl-piperazine; methanesulfonic acid
IUPAC Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-propan-2-ylpiperazine; methanesulfonic acid
SYSTEMATIC NAME: 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-propan-2-yl-piperazine; methanesulfonic acid
MOLECULAR FORMULA: C23H33ClN2O6S3
MOLECULAR WEIGHT: 565.16592
SMILES: CC(C)N1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.CS(=O)(=O)O.CS(=O)(=O)O
Structure:
CAS RN: 61014-90-2
CAS Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-ethylpiperazine; methanesulfonic acid
OPENEYE Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-ethyl-piperazine; methanesulfonic acid
IUPAC Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-ethylpiperazine; methanesulfonic acid
SYSTEMATIC NAME: 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-ethyl-piperazine; methanesulfonic acid
MOLECULAR FORMULA: C21H27ClN2O3S2
MOLECULAR WEIGHT: 455.03368
SMILES: CCN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.CS(=O)(=O)O
Structure:
CAS RN: 61004-95-3
CAS Name: 2-(3-chlorophenyl)-3-methyloxazolidine
OPENEYE Name: 2-(3-chlorophenyl)-3-methyl-oxazolidine
IUPAC Name: 2-(3-chlorophenyl)-3-methyl-1,3-oxazolidine
SYSTEMATIC NAME: 2-(3-chlorophenyl)-3-methyl-1,3-oxazolidine
MOLECULAR FORMULA: C10H12ClNO
MOLECULAR WEIGHT: 197.66138
SMILES: CN1CCOC1C2=CC(=CC=C2)Cl
Structure:
CAS RN: 61001-41-0
CAS Name: 1-methyl-2-phenyl-5,6-dihydropyrazolo[5,1-a]isoquinoline
OPENEYE Name: 1-methyl-2-phenyl-5,6-dihydropyrazolo[5,1-a]isoquinoline
IUPAC Name: 1-methyl-2-phenyl-5,6-dihydropyrazolo[5,1-a]isoquinoline
SYSTEMATIC NAME: 1-methyl-2-phenyl-5,6-dihydropyrazolo[5,1-a]isoquinoline
MOLECULAR FORMULA: C18H16N2
MOLECULAR WEIGHT: 260.33304
SMILES: CC1=C2C3=CC=CC=C3CCN2N=C1C4=CC=CC=C4
Structure:
CAS RN: 61001-40-9
CAS Name: (2-phenyl-5,6-dihydropyrazolo[5,1-a]isoquinolin-1-yl)methanol
OPENEYE Name: (2-phenyl-5,6-dihydropyrazolo[5,1-a]isoquinolin-1-yl)methanol
IUPAC Name: (2-phenyl-5,6-dihydropyrazolo[5,1-a]isoquinolin-1-yl)methanol
SYSTEMATIC NAME: (2-phenyl-5,6-dihydropyrazolo[5,1-a]isoquinolin-1-yl)methanol
MOLECULAR FORMULA: C18H16N2O
MOLECULAR WEIGHT: 276.33244
SMILES: C1CN2C(=C(C(=N2)C3=CC=CC=C3)CO)C4=CC=CC=C41
Structure:
CAS RN: 61001-35-2
CAS Name: 2-(3-methoxyphenyl)pyrazolo[5,1-a]isoquinoline
OPENEYE Name: 2-(3-methoxyphenyl)pyrazolo[5,1-a]isoquinoline
IUPAC Name: 2-(3-methoxyphenyl)pyrazolo[5,1-a]isoquinoline
SYSTEMATIC NAME: 2-(3-methoxyphenyl)pyrazolo[5,1-a]isoquinoline
MOLECULAR FORMULA: C18H14N2O
MOLECULAR WEIGHT: 274.31656
SMILES: COC1=CC=CC(=C1)C2=NN3C=CC4=CC=CC=C4C3=C2
Structure:
CAS RN: 61001-30-7
CAS Name: 2-(3-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline
OPENEYE Name: 2-(3-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline
IUPAC Name: 2-(3-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline
SYSTEMATIC NAME: 2-(3-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline
MOLECULAR FORMULA: C18H16N2O
MOLECULAR WEIGHT: 276.33244
SMILES: COC1=CC=CC(=C1)C2=NN3CCC4=CC=CC=C4C3=C2
Structure:
CAS RN: 60999-45-3
CAS Name: 1-azabicyclo[2.2.2]octan-3-yl(phenyl)methanol hydrochloride
OPENEYE Name: phenyl(quinuclidin-3-yl)methanol hydrochloride
IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl(phenyl)methanol hydrochloride
SYSTEMATIC NAME: 1-azabicyclo[2.2.2]octan-3-yl(phenyl)methanol hydrochloride
MOLECULAR FORMULA: C14H20ClNO
MOLECULAR WEIGHT: 253.7677
SMILES: C1CN2CCC1C(C2)C(C3=CC=CC=C3)O.Cl
Structure:
CAS RN: 60999-40-8
CAS Name: 1-azabicyclo[2.2.2]octan-2-yl(diphenyl)methanol
OPENEYE Name: diphenyl(quinuclidin-2-yl)methanol
IUPAC Name: 1-azabicyclo[2.2.2]octan-2-yl(diphenyl)methanol
SYSTEMATIC NAME: 1-azabicyclo[2.2.2]octan-2-yl(diphenyl)methanol
MOLECULAR FORMULA: C20H23NO
MOLECULAR WEIGHT: 293.40272
SMILES: C1CN2CCC1CC2C(C3=CC=CC=C3)(C4=CC=CC=C4)O
Structure:
CAS RN: 60990-70-7
CAS Name: 1-(5-butyl-3-isoxazolyl)-1-carbamimidoylguanidine
OPENEYE Name: 1-(5-butylisoxazol-3-yl)-1-carbamimidoyl-guanidine
IUPAC Name: 1-(5-butyl-1,2-oxazol-3-yl)-1-carbamimidoylguanidine
SYSTEMATIC NAME: 1-(5-butyl-1,2-oxazol-3-yl)-1-carbamimidoyl-guanidine
MOLECULAR FORMULA: C9H16N6O
MOLECULAR WEIGHT: 224.26294
SMILES: CCCCC1=CC(=NO1)N(C(=N)N)C(=N)N
Structure:
CAS RN: 60984-26-1
CAS Name: N,N-dimethyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yloxy)-1-propanamine hydrochloride
OPENEYE Name: N,N-dimethyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yloxy)propan-1-amine hydrochloride
IUPAC Name: N,N-dimethyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yloxy)propan-1-amine hydrochloride
SYSTEMATIC NAME: N,N-dimethyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yloxy)propan-1-amine hydrochloride
MOLECULAR FORMULA: C16H26ClNO
MOLECULAR WEIGHT: 283.83674
SMILES: CN(C)CCCOC1=CC2=C(CCCCC2)C=C1.Cl
Structure:
CAS RN: 60975-30-6
CAS Name: (2S,5R,6R)-6-[[3-carboxy-3-(4-ethoxyphenyl)-1-oxopropyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,5R,6R)-6-[[3-carboxy-3-(4-ethoxyphenyl)propanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,5R,6R)-6-[[3-carboxy-3-(4-ethoxyphenyl)propanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-6-[[3-(4-ethoxyphenyl)-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C20H24N2O7S
MOLECULAR WEIGHT: 436.47876
SMILES: CCOC1=CC=C(C=C1)C(CC(=O)N[C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)O)C(=O)O
Structure:
CAS RN: 60971-95-1
CAS Name: phosphoric acid [(Z)-2-bromo-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl ester
OPENEYE Name: [(Z)-2-bromo-2-chloro-1-(2,4-dichlorophenyl)vinyl] diethyl phosphate
IUPAC Name: [(Z)-2-bromo-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate
SYSTEMATIC NAME: [(Z)-2-bromanyl-2-chloranyl-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate
MOLECULAR FORMULA: C12H13BrCl3O4P
MOLECULAR WEIGHT: 438.465981
SMILES: CCOP(=O)(OCC)O/C(=C(/Cl)\Br)/C1=C(C=C(C=C1)Cl)Cl
Structure:
CAS RN: 60969-95-1
CAS Name: 6-(methylamino)-5,6-dihydrobenzo[b][1]benzothiepin-2,3-diol hydrobromide
OPENEYE Name: 6-(methylamino)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol hydrobromide
IUPAC Name: 6-(methylamino)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol hydrobromide
SYSTEMATIC NAME: 6-(methylamino)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol hydrobromide
MOLECULAR FORMULA: C15H16BrNO2S
MOLECULAR WEIGHT: 354.26204
SMILES: CNC1CC2=CC(=C(C=C2SC3=CC=CC=C13)O)O.Br
Structure:
CAS RN: 60969-94-0
CAS Name: 6-amino-5,6-dihydrobenzo[b][1]benzothiepin-2,3-diol hydrobromide
OPENEYE Name: 6-amino-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol hydrobromide
IUPAC Name: 6-amino-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol hydrobromide
SYSTEMATIC NAME: 6-azanyl-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol hydrobromide
MOLECULAR FORMULA: C14H14BrNO2S
MOLECULAR WEIGHT: 340.23546
SMILES: C1C(C2=CC=CC=C2SC3=CC(=C(C=C31)O)O)N.Br
Structure:
CAS RN: 60969-87-1
CAS Name: 8-chloro-6-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin-2,3-diol dihydrobromide
OPENEYE Name: 8-chloro-6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol dihydrobromide
IUPAC Name: 8-chloro-6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol dihydrobromide
SYSTEMATIC NAME: 8-chloranyl-6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol dihydrobromide
MOLECULAR FORMULA: C19H23Br2ClN2O2S
MOLECULAR WEIGHT: 538.72412
SMILES: CN1CCN(CC1)C2CC3=CC(=C(C=C3SC4=C2C=C(C=C4)Cl)O)O.Br.Br
Structure:
CAS RN: 60969-81-5
CAS Name: 1-(8-chloro-2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine; methanesulfonic acid
OPENEYE Name: 1-(8-chloro-2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine; methanesulfonic acid
IUPAC Name: 1-(8-chloro-2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine; methanesulfonic acid
SYSTEMATIC NAME: 1-(8-chloranyl-2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methyl-piperazine; methanesulfonic acid
MOLECULAR FORMULA: C23H33ClN2O8S3
MOLECULAR WEIGHT: 597.16472
SMILES: CN1CCN(CC1)C2CC3=CC(=C(C=C3SC4=C2C=C(C=C4)Cl)OC)OC.CS(=O)(=O)O.CS(=O)(=O)O
Structure:
CAS RN: 60959-82-2
CAS Name: 3-[2-[[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]methyl]-1-benzimidazolyl]-1-phenyl-1-propanone
OPENEYE Name: 3-[2-[[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]methyl]benzimidazol-1-yl]-1-phenyl-propan-1-one
IUPAC Name: 3-[2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]benzimidazol-1-yl]-1-phenylpropan-1-one
SYSTEMATIC NAME: 3-[2-[[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]methyl]benzimidazol-1-yl]-1-phenyl-propan-1-one
MOLECULAR FORMULA: C27H33N5O2
MOLECULAR WEIGHT: 459.58322
SMILES: C1CCN(C1)C(=O)CN2CCN(CC2)CC3=NC4=CC=CC=C4N3CCC(=O)C5=CC=CC=C5
Structure:
CAS RN: 60959-23-1
CAS Name: 1-carbamimidoyl-1-(3,4-dimethyl-5-isoxazolyl)guanidine hydrochloride
OPENEYE Name: 1-carbamimidoyl-1-(3,4-dimethylisoxazol-5-yl)guanidine hydrochloride
IUPAC Name: 1-carbamimidoyl-1-(3,4-dimethyl-1,2-oxazol-5-yl)guanidine hydrochloride
SYSTEMATIC NAME: 1-carbamimidoyl-1-(3,4-dimethyl-1,2-oxazol-5-yl)guanidine hydrochloride
MOLECULAR FORMULA: C7H13ClN6O
MOLECULAR WEIGHT: 232.67072
SMILES: CC1=C(ON=C1C)N(C(=N)N)C(=N)N.Cl
Structure:
CAS RN: 60959-22-0
CAS Name: 1-carbamimidoyl-3-(3,5-dimethyl-4-isoxazolyl)-1,3-dimethylguanidine hydrochloride
OPENEYE Name: 1-carbamimidoyl-3-(3,5-dimethylisoxazol-4-yl)-1,3-dimethyl-guanidine hydrochloride
IUPAC Name: 1-carbamimidoyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dimethylguanidine hydrochloride
SYSTEMATIC NAME: 1-carbamimidoyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dimethyl-guanidine hydrochloride
MOLECULAR FORMULA: C9H17ClN6O
MOLECULAR WEIGHT: 260.72388
SMILES: CC1=C(C(=NO1)C)N(C)C(=N)N(C)C(=N)N.Cl
Structure:
CAS RN: 60959-21-9
CAS Name: 1-butyl-1-carbamimidoyl-2-(3,5-dimethyl-4-isoxazolyl)guanidine hydrochloride
OPENEYE Name: 1-butyl-1-carbamimidoyl-2-(3,5-dimethylisoxazol-4-yl)guanidine hydrochloride
IUPAC Name: 1-butyl-1-carbamimidoyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)guanidine hydrochloride
SYSTEMATIC NAME: 1-butyl-1-carbamimidoyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)guanidine hydrochloride
MOLECULAR FORMULA: C11H21ClN6O
MOLECULAR WEIGHT: 288.77704
SMILES: CCCCN(C(=N)N)C(=NC1=C(ON=C1C)C)N.Cl
Structure:
CAS RN: 60959-20-8
CAS Name: 1-carbamimidoyl-1-(3,5-dimethyl-4-isoxazolyl)guanidine hydrochloride
OPENEYE Name: 1-carbamimidoyl-1-(3,5-dimethylisoxazol-4-yl)guanidine hydrochloride
IUPAC Name: 1-carbamimidoyl-1-(3,5-dimethyl-1,2-oxazol-4-yl)guanidine hydrochloride
SYSTEMATIC NAME: 1-carbamimidoyl-1-(3,5-dimethyl-1,2-oxazol-4-yl)guanidine hydrochloride
MOLECULAR FORMULA: C7H13ClN6O
MOLECULAR WEIGHT: 232.67072
SMILES: CC1=C(C(=NO1)C)N(C(=N)N)C(=N)N.Cl
Structure:
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