CAS RN: 103952-85-8
CAS Name: 3-[(4-chlorophenyl)-oxomethyl]-2-[4-(trifluoromethyl)phenyl]-2H-1,3-benzoxazin-4-one
OPENEYE Name: 3-(4-chlorobenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-1,3-benzoxazin-4-one
IUPAC Name: 3-(4-chlorobenzoyl)-2-[4-(trifluoromethyl)phenyl]-2H-1,3-benzoxazin-4-one
SYSTEMATIC NAME: 3-(4-chlorophenyl)carbonyl-2-[4-(trifluoromethyl)phenyl]-2H-1,3-benzoxazin-4-one
MOLECULAR FORMULA: C22H13ClF3NO3
MOLECULAR WEIGHT: 431.79173
SMILES: C1=CC=C2C(=C1)C(=O)N(C(O2)C3=CC=C(C=C3)C(F)(F)F)C(=O)C4=CC=C(C=C4)Cl
Structure:
CAS RN: 103952-79-0
CAS Name: 3-[(4-chlorophenyl)-oxomethyl]-2-(3,4-dimethoxyphenyl)-2H-1,3-benzoxazin-4-one
OPENEYE Name: 3-(4-chlorobenzoyl)-2-(3,4-dimethoxyphenyl)-2H-1,3-benzoxazin-4-one
IUPAC Name: 3-(4-chlorobenzoyl)-2-(3,4-dimethoxyphenyl)-2H-1,3-benzoxazin-4-one
SYSTEMATIC NAME: 3-(4-chlorophenyl)carbonyl-2-(3,4-dimethoxyphenyl)-2H-1,3-benzoxazin-4-one
MOLECULAR FORMULA: C23H18ClNO5
MOLECULAR WEIGHT: 423.84572
SMILES: COC1=C(C=C(C=C1)C2N(C(=O)C3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)Cl)OC
Structure:
CAS RN: 103674-14-2
CAS Name: 1-methyl-8-quinolin-1-iumol; octadecanoate
OPENEYE Name: 1-methylquinolin-1-ium-8-ol; octadecanoate
IUPAC Name: 1-methylquinolin-1-ium-8-ol; octadecanoate
SYSTEMATIC NAME: 1-methylquinolin-1-ium-8-ol; octadecanoate
MOLECULAR FORMULA: C28H45NO3
MOLECULAR WEIGHT: 443.6618
SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].C[N+]1=CC=CC2=C1C(=CC=C2)O
Structure:
CAS RN: 102944-92-3
CAS Name: 2,5-bis[4-(diethylamino)butylamino]cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-bis[4-(diethylamino)butylamino]-1,4-benzoquinone
IUPAC Name: 2,5-bis[4-(diethylamino)butylamino]cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-bis[4-(diethylamino)butylamino]cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C22H40N4O2
MOLECULAR WEIGHT: 392.5786
SMILES: CCN(CC)CCCCNC1=CC(=O)C(=CC1=O)NCCCCN(CC)CC
Structure:
CAS RN: 102808-97-9
CAS Name: 2,5-bis[5-(diethylamino)pentylamino]cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-bis[5-(diethylamino)pentylamino]-1,4-benzoquinone
IUPAC Name: 2,5-bis[5-(diethylamino)pentylamino]cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-bis[5-(diethylamino)pentylamino]cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C24H44N4O2
MOLECULAR WEIGHT: 420.63176
SMILES: CCN(CC)CCCCCNC1=CC(=O)C(=CC1=O)NCCCCCN(CC)CC
Structure:
CAS RN: 102584-08-7
CAS Name: 3-methoxy-N-(1-pyridin-1-iumylmethyl)benzamide chloride hydrate
OPENEYE Name: 3-methoxy-N-(pyridin-1-ium-1-ylmethyl)benzamide chloride hydrate
IUPAC Name: 3-methoxy-N-(pyridin-1-ium-1-ylmethyl)benzamide chloride hydrate
SYSTEMATIC NAME: 3-methoxy-N-(pyridin-1-ium-1-ylmethyl)benzamide chloride hydrate
MOLECULAR FORMULA: C14H17ClN2O3
MOLECULAR WEIGHT: 296.74938
SMILES: COC1=CC=CC(=C1)C(=O)NC[N+]2=CC=CC=C2.O.[Cl-]
Structure:
CAS RN: 102584-07-6
CAS Name: 4-methoxy-N-(1-pyridin-1-iumylmethyl)benzamide chloride
OPENEYE Name: 4-methoxy-N-(pyridin-1-ium-1-ylmethyl)benzamide chloride
IUPAC Name: 4-methoxy-N-(pyridin-1-ium-1-ylmethyl)benzamide chloride
SYSTEMATIC NAME: 4-methoxy-N-(pyridin-1-ium-1-ylmethyl)benzamide chloride
MOLECULAR FORMULA: C14H15ClN2O2
MOLECULAR WEIGHT: 278.7341
SMILES: COC1=CC=C(C=C1)C(=O)NC[N+]2=CC=CC=C2.[Cl-]
Structure:
CAS RN: 102571-06-2
CAS Name: 2-(1-cyclopentenyl)-2-hydroxy-3-pentynoic acid (1-methyl-4-piperidinyl) ester
OPENEYE Name: (1-methyl-4-piperidyl) 2-(cyclopenten-1-yl)-2-hydroxy-pent-3-ynoate
IUPAC Name: (1-methylpiperidin-4-yl) 2-(cyclopenten-1-yl)-2-hydroxypent-3-ynoate
SYSTEMATIC NAME: (1-methylpiperidin-4-yl) 2-(cyclopenten-1-yl)-2-oxidanyl-pent-3-ynoate
MOLECULAR FORMULA: C16H23NO3
MOLECULAR WEIGHT: 277.35872
SMILES: CC#CC(C1=CCCC1)(C(=O)OC2CCN(CC2)C)O
Structure:
CAS RN: 102517-25-9
CAS Name: 2-(2-bromoethyl)-4,6-dichloro-1,3,5-triazine
OPENEYE Name: 2-(2-bromoethyl)-4,6-dichloro-1,3,5-triazine
IUPAC Name: 2-(2-bromoethyl)-4,6-dichloro-1,3,5-triazine
SYSTEMATIC NAME: 2-(2-bromoethyl)-4,6-bis(chloranyl)-1,3,5-triazine
MOLECULAR FORMULA: C5H4BrCl2N3
MOLECULAR WEIGHT: 256.91536
SMILES: C(CBr)C1=NC(=NC(=N1)Cl)Cl
Structure:
CAS RN: 102367-42-0
CAS Name: 2-hydroxy-2-thiophen-2-yl-3-pentynoic acid (1-methyl-4-piperidinyl) ester
OPENEYE Name: (1-methyl-4-piperidyl) 2-hydroxy-2-(2-thienyl)pent-3-ynoate
IUPAC Name: (1-methylpiperidin-4-yl) 2-hydroxy-2-thiophen-2-ylpent-3-ynoate
SYSTEMATIC NAME: (1-methylpiperidin-4-yl) 2-oxidanyl-2-thiophen-2-yl-pent-3-ynoate
MOLECULAR FORMULA: C15H19NO3S
MOLECULAR WEIGHT: 293.38126
SMILES: CC#CC(C1=CC=CS1)(C(=O)OC2CCN(CC2)C)O
Structure:
CAS RN: 102367-33-9
CAS Name: diphenyl(3-thiomorpholinyl)methanol hydrochloride
OPENEYE Name: diphenyl(thiomorpholin-3-yl)methanol hydrochloride
IUPAC Name: diphenyl(thiomorpholin-3-yl)methanol hydrochloride
SYSTEMATIC NAME: diphenyl(thiomorpholin-3-yl)methanol hydrochloride
MOLECULAR FORMULA: C17H20ClNOS
MOLECULAR WEIGHT: 321.8648
SMILES: C1CSCC(N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl
Structure:
CAS RN: 102366-70-1
CAS Name: 4-amino-2-hydroxybenzoic acid 3-(diethylamino)propyl ester; hydrogen phosphate
OPENEYE Name: 3-(diethylamino)propyl 4-amino-2-hydroxy-benzoate; hydrogen phosphate
IUPAC Name: 3-(diethylamino)propyl 4-amino-2-hydroxybenzoate; hydrogen phosphate
SYSTEMATIC NAME: 3-(diethylamino)propyl 4-azanyl-2-oxidanyl-benzoate; hydrogen phosphate
MOLECULAR FORMULA: C14H23N2O7P-2
MOLECULAR WEIGHT: 362.315381
SMILES: CCN(CC)CCCOC(=O)C1=C(C=C(C=C1)N)O.OP(=O)([O-])[O-]
Structure:
CAS RN: 102207-25-0
CAS Name: N-(cyclohexylmethyl)-4-methoxy-N-[2-(1-methyl-1-piperidin-1-iumyl)ethyl]aniline bromide
OPENEYE Name: N-(cyclohexylmethyl)-4-methoxy-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]aniline bromide
IUPAC Name: N-(cyclohexylmethyl)-4-methoxy-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]aniline bromide
SYSTEMATIC NAME: N-(cyclohexylmethyl)-4-methoxy-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]aniline bromide
MOLECULAR FORMULA: C22H37BrN2O
MOLECULAR WEIGHT: 425.44598
SMILES: C[N+]1(CCCCC1)CCN(CC2CCCCC2)C3=CC=C(C=C3)OC.[Br-]
Structure:
CAS RN: 102207-23-8
CAS Name: N-cyclohexyl-4-methoxy-N-[2-(1-methyl-1-piperidin-1-iumyl)ethyl]aniline bromide
OPENEYE Name: N-cyclohexyl-4-methoxy-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]aniline bromide
IUPAC Name: N-cyclohexyl-4-methoxy-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]aniline bromide
SYSTEMATIC NAME: N-cyclohexyl-4-methoxy-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]aniline bromide
MOLECULAR FORMULA: C21H35BrN2O
MOLECULAR WEIGHT: 411.4194
SMILES: C[N+]1(CCCCC1)CCN(C2CCCCC2)C3=CC=C(C=C3)OC.[Br-]
Structure:
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