CAS RN: 5092-03-5
CAS Name: (3aR,5aR,5bS,7aS,10S,11aR,13aR,13bS)-5a,5b,7a,10,13b-pentamethyl-13-oxo-3-propan-2-ylidene-1,2,3a,4,5,6,7,8,9,11,11a,13a-dodecahydrocyclopenta[a]chrysene-10-carboxylic acid methyl ester
OPENEYE Name: methyl (3aR,5aR,5bS,7aS,10S,11aR,13aR,13bS)-3-isopropylidene-5a,5b,7a,10,13b-pentamethyl-13-oxo-1,2,3a,4,5,6,7,8,9,11,11a,13a-dodecahydrocyclopenta[a]chrysene-10-carboxylate
IUPAC Name: methyl (3aR,5aR,5bS,7aS,10S,11aR,13aR,13bS)-5a,5b,7a,10,13b-pentamethyl-13-oxo-3-propan-2-ylidene-1,2,3a,4,5,6,7,8,9,11,11a,13a-dodecahydrocyclopenta[a]chrysene-10-carboxylate
SYSTEMATIC NAME: methyl (3aR,5aR,5bS,7aS,10S,11aR,13aR,13bS)-5a,5b,7a,10,13b-pentamethyl-13-oxidanylidene-3-propan-2-ylidene-1,2,3a,4,5,6,7,8,9,11,11a,13a-dodecahydrocyclopenta[a]chrysene-10-carboxylate
MOLECULAR FORMULA: C31H46O3
MOLECULAR WEIGHT: 466.69514
SMILES: CC(=C1CC[C@]2([C@H]1CC[C@@]3([C@@H]2C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)OC)C)C)C)C)C
Structure:
CAS RN: 5092-01-3
CAS Name: (2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid methyl ester
OPENEYE Name: methyl (2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
IUPAC Name: methyl (2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
SYSTEMATIC NAME: methyl (2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
MOLECULAR FORMULA: C31H48O4
MOLECULAR WEIGHT: 484.71042
SMILES: C[C@]12CC[C@@](C[C@@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)OC
Structure:
CAS RN: 5091-32-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H24N4O7S
MOLECULAR WEIGHT: 488.51356
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]3[C@@H]2[C@@]4([C@@H](C5=C(N4C3)C(=O)C(=C(C5=O)N)C)COC(=O)N)OC
Structure:
CAS RN: 4117-83-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H22N4O6
MOLECULAR WEIGHT: 438.43328
SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4C(=O)C5=CC=CC=C5)N
Structure:
CAS RN: 5091-30-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H22N4O6
MOLECULAR WEIGHT: 438.43328
SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4C(=O)C5=CC=CC=C5)N
Structure:
CAS RN: 90027-33-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H22N4O6
MOLECULAR WEIGHT: 438.43328
SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4C(=O)C5=CC=CC=C5)N
Structure:
CAS RN: 5090-29-9
CAS Name: 2-amino-1-(3,4-dihydroxyphenyl)ethanone hydrochloride
OPENEYE Name: 2-amino-1-(3,4-dihydroxyphenyl)ethanone hydrochloride
IUPAC Name: 2-amino-1-(3,4-dihydroxyphenyl)ethanone hydrochloride
SYSTEMATIC NAME: 2-azanyl-1-[3,4-bis(oxidanyl)phenyl]ethanone hydrochloride
MOLECULAR FORMULA: C8H10ClNO3
MOLECULAR WEIGHT: 203.6229
SMILES: C1=CC(=C(C=C1C(=O)CN)O)O.Cl
Structure:
CAS RN: 5083-00-1
CAS Name: N-(1-cyano-1-phenylethyl)acetamide
OPENEYE Name: N-(1-cyano-1-phenyl-ethyl)acetamide
IUPAC Name: N-(1-cyano-1-phenylethyl)acetamide
SYSTEMATIC NAME: N-(1-cyano-1-phenyl-ethyl)ethanamide
MOLECULAR FORMULA: C11H12N2O
MOLECULAR WEIGHT: 188.22578
SMILES: CC(=O)NC(C)(C#N)C1=CC=CC=C1
Structure:
CAS RN: 5076-61-9
CAS Name: 1-[2-[4-[3-(diethylamino)prop-1-ynyl]phenyl]ethynyl]-1-cyclohexanol hydrochloride
OPENEYE Name: 1-[2-[4-[3-(diethylamino)prop-1-ynyl]phenyl]ethynyl]cyclohexanol hydrochloride
IUPAC Name: 1-[2-[4-[3-(diethylamino)prop-1-ynyl]phenyl]ethynyl]cyclohexan-1-ol hydrochloride
SYSTEMATIC NAME: 1-[2-[4-[3-(diethylamino)prop-1-ynyl]phenyl]ethynyl]cyclohexan-1-ol hydrochloride
MOLECULAR FORMULA: C21H28ClNO
MOLECULAR WEIGHT: 345.90612
SMILES: CCN(CC)CC#CC1=CC=C(C=C1)C#CC2(CCCCC2)O.Cl
Structure:
CAS RN: 5076-60-8
CAS Name: 1-[2-[4-[3-(diethylamino)prop-1-ynyl]phenyl]ethynyl]-1-cyclohexanol
OPENEYE Name: 1-[2-[4-[3-(diethylamino)prop-1-ynyl]phenyl]ethynyl]cyclohexanol
IUPAC Name: 1-[2-[4-[3-(diethylamino)prop-1-ynyl]phenyl]ethynyl]cyclohexan-1-ol
SYSTEMATIC NAME: 1-[2-[4-[3-(diethylamino)prop-1-ynyl]phenyl]ethynyl]cyclohexan-1-ol
MOLECULAR FORMULA: C21H27NO
MOLECULAR WEIGHT: 309.44518
SMILES: CCN(CC)CC#CC1=CC=C(C=C1)C#CC2(CCCCC2)O
Structure:
CAS RN: 5076-30-2
CAS Name: 1-[2-[4-[3-(1-piperidinyl)prop-1-ynyl]phenyl]ethynyl]-1-cyclohexanol
OPENEYE Name: 1-[2-[4-[3-(1-piperidyl)prop-1-ynyl]phenyl]ethynyl]cyclohexanol
IUPAC Name: 1-[2-[4-(3-piperidin-1-ylprop-1-ynyl)phenyl]ethynyl]cyclohexan-1-ol
SYSTEMATIC NAME: 1-[2-[4-(3-piperidin-1-ylprop-1-ynyl)phenyl]ethynyl]cyclohexan-1-ol
MOLECULAR FORMULA: C22H27NO
MOLECULAR WEIGHT: 321.45588
SMILES: C1CCC(CC1)(C#CC2=CC=C(C=C2)C#CCN3CCCCC3)O
Structure:
CAS RN: 5075-96-7
CAS Name: 5-(1-cyclohex-3-enyl)-3-phenyl-3-pyrrolidinol hydrochloride
OPENEYE Name: 5-cyclohex-3-en-1-yl-3-phenyl-pyrrolidin-3-ol hydrochloride
IUPAC Name: 5-cyclohex-3-en-1-yl-3-phenylpyrrolidin-3-ol hydrochloride
SYSTEMATIC NAME: 5-cyclohex-3-en-1-yl-3-phenyl-pyrrolidin-3-ol hydrochloride
MOLECULAR FORMULA: C16H22ClNO
MOLECULAR WEIGHT: 279.80498
SMILES: C1CC(CC=C1)C2CC(CN2)(C3=CC=CC=C3)O.Cl
Structure:
CAS RN: 5075-95-6
CAS Name: 3-(4-chlorophenyl)-5-(1-cyclohex-3-enyl)-3-pyrrolidinol hydrochloride
OPENEYE Name: 3-(4-chlorophenyl)-5-cyclohex-3-en-1-yl-pyrrolidin-3-ol hydrochloride
IUPAC Name: 3-(4-chlorophenyl)-5-cyclohex-3-en-1-ylpyrrolidin-3-ol hydrochloride
SYSTEMATIC NAME: 3-(4-chlorophenyl)-5-cyclohex-3-en-1-yl-pyrrolidin-3-ol hydrochloride
MOLECULAR FORMULA: C16H21Cl2NO
MOLECULAR WEIGHT: 314.25004
SMILES: C1CC(CC=C1)C2CC(CN2)(C3=CC=C(C=C3)Cl)O.Cl
Structure:
CAS RN: 5072-45-7
CAS Name: 2,6-dimethylpiperidine hydrochloride
OPENEYE Name: 2,6-dimethylpiperidine hydrochloride
IUPAC Name: 2,6-dimethylpiperidine hydrochloride
SYSTEMATIC NAME: 2,6-dimethylpiperidine hydrochloride
MOLECULAR FORMULA: C7H16ClN
MOLECULAR WEIGHT: 149.66164
SMILES: CC1CCCC(N1)C.Cl
Structure:
CAS RN: 5069-41-0
CAS Name: 3-[4-(2-methylphenyl)-1-piperazinyl]-1-(5-methyl-1-phenyl-4-pyrazolyl)-1-propanone hydrochloride
OPENEYE Name: 1-(5-methyl-1-phenyl-pyrazol-4-yl)-3-[4-(o-tolyl)piperazin-1-yl]propan-1-one hydrochloride
IUPAC Name: 3-[4-(2-methylphenyl)piperazin-1-yl]-1-(5-methyl-1-phenylpyrazol-4-yl)propan-1-one hydrochloride
SYSTEMATIC NAME: 3-[4-(2-methylphenyl)piperazin-1-yl]-1-(5-methyl-1-phenyl-pyrazol-4-yl)propan-1-one hydrochloride
MOLECULAR FORMULA: C24H29ClN4O
MOLECULAR WEIGHT: 424.96626
SMILES: CC1=CC=CC=C1N2CCN(CC2)CCC(=O)C3=C(N(N=C3)C4=CC=CC=C4)C.Cl
Structure:
CAS RN: 5062-66-8
CAS Name: 1-(aminomethyl)-1-cyclopentanamine
OPENEYE Name: 1-(aminomethyl)cyclopentanamine
IUPAC Name: 1-(aminomethyl)cyclopentan-1-amine
SYSTEMATIC NAME: 1-(aminomethyl)cyclopentan-1-amine
MOLECULAR FORMULA: C6H14N2
MOLECULAR WEIGHT: 114.18876
SMILES: C1CCC(C1)(CN)N
Structure:
CAS RN: 5062-65-7
CAS Name: 2-phenylpentane-1,2-diamine
OPENEYE Name: 2-phenylpentane-1,2-diamine
IUPAC Name: 2-phenylpentane-1,2-diamine
SYSTEMATIC NAME: 2-phenylpentane-1,2-diamine
MOLECULAR FORMULA: C11H18N2
MOLECULAR WEIGHT: 178.27402
SMILES: CCCC(CN)(C1=CC=CC=C1)N
Structure:
CAS RN: 5055-01-6
CAS Name: 8-bromo-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
OPENEYE Name: 8-bromo-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
IUPAC Name: 8-bromo-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SYSTEMATIC NAME: 8-bromanyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
MOLECULAR FORMULA: C12H13BrN2
MOLECULAR WEIGHT: 265.14902
SMILES: CN1CCC2=C(C1)C3=C(N2)C=CC(=C3)Br
Structure:
CAS RN: 5053-14-5
CAS Name: 8-(phenylmethyl)-4-oxa-2,8-diazaspiro[4.5]decan-3-one
OPENEYE Name: 8-benzyl-4-oxa-2,8-diazaspiro[4.5]decan-3-one
IUPAC Name: 8-benzyl-4-oxa-2,8-diazaspiro[4.5]decan-3-one
SYSTEMATIC NAME: 8-(phenylmethyl)-4-oxa-2,8-diazaspiro[4.5]decan-3-one
MOLECULAR FORMULA: C14H18N2O2
MOLECULAR WEIGHT: 246.30492
SMILES: C1CN(CCC12CNC(=O)O2)CC3=CC=CC=C3
Structure:
CAS RN: 5053-04-3
CAS Name: N-(4-ethoxyphenyl)-2-(3-oxo-4-oxa-2,8-diazaspiro[4.5]decan-8-yl)acetamide
OPENEYE Name: N-(4-ethoxyphenyl)-2-(3-oxo-4-oxa-2,8-diazaspiro[4.5]decan-8-yl)acetamide
IUPAC Name: N-(4-ethoxyphenyl)-2-(3-oxo-4-oxa-2,8-diazaspiro[4.5]decan-8-yl)acetamide
SYSTEMATIC NAME: N-(4-ethoxyphenyl)-2-(3-oxidanylidene-4-oxa-2,8-diazaspiro[4.5]decan-8-yl)ethanamide
MOLECULAR FORMULA: C17H23N3O4
MOLECULAR WEIGHT: 333.38222
SMILES: CCOC1=CC=C(C=C1)NC(=O)CN2CCC3(CC2)CNC(=O)O3
Structure:
CAS RN: 5052-99-3
CAS Name: 8-(2-phenoxyethyl)-4-oxa-2,8-diazaspiro[4.5]decan-3-one hydrochloride
OPENEYE Name: 8-(2-phenoxyethyl)-4-oxa-2,8-diazaspiro[4.5]decan-3-one hydrochloride
IUPAC Name: 8-(2-phenoxyethyl)-4-oxa-2,8-diazaspiro[4.5]decan-3-one hydrochloride
SYSTEMATIC NAME: 8-(2-phenoxyethyl)-4-oxa-2,8-diazaspiro[4.5]decan-3-one hydrochloride
MOLECULAR FORMULA: C15H21ClN2O3
MOLECULAR WEIGHT: 312.79184
SMILES: C1CN(CCC12CNC(=O)O2)CCOC3=CC=CC=C3.Cl
Structure:
CAS RN: 5047-75-6
CAS Name: 7-[3-(dibutylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
OPENEYE Name: 7-[3-(dibutylamino)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione
IUPAC Name: 7-[3-(dibutylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
SYSTEMATIC NAME: 7-[3-(dibutylamino)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione
MOLECULAR FORMULA: C18H31N5O3
MOLECULAR WEIGHT: 365.47044
SMILES: CCCCN(CCCC)CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O
Structure:
CAS RN: 5029-48-1
CAS Name: 5,5,5-trinitro-2-pentanone
OPENEYE Name: 5,5,5-trinitropentan-2-one
IUPAC Name: 5,5,5-trinitropentan-2-one
SYSTEMATIC NAME: 5,5,5-trinitropentan-2-one
MOLECULAR FORMULA: C5H7N3O7
MOLECULAR WEIGHT: 221.12498
SMILES: CC(=O)CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 5028-17-1
CAS Name: 2-(4-methyl-1-piperazinyl)-3-pyridinamine
OPENEYE Name: 2-(4-methylpiperazin-1-yl)pyridin-3-amine
IUPAC Name: 2-(4-methylpiperazin-1-yl)pyridin-3-amine
SYSTEMATIC NAME: 2-(4-methylpiperazin-1-yl)pyridin-3-amine
MOLECULAR FORMULA: C10H16N4
MOLECULAR WEIGHT: 192.26084
SMILES: CN1CCN(CC1)C2=C(C=CC=N2)N
Structure:
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