CAS RN: 7597-40-2
CAS Name: 2-(4-nitrophenyl)-1,3-dihydro-1,3,2$l^{5}-benzodiazaphosphole 2-oxide
OPENEYE Name: 2-(4-nitrophenyl)-1,3-dihydro-1,3,2$l^{5}-benzodiazaphosphole 2-oxide
IUPAC Name: 2-(4-nitrophenyl)-1,3-dihydro-1,3,2$l^{5}-benzodiazaphosphole 2-oxide
SYSTEMATIC NAME: 2-(4-nitrophenyl)-1,3-dihydro-1,3,2$l^{5}-benzodiazaphosphole 2-oxide
MOLECULAR FORMULA: C12H10N3O3P
MOLECULAR WEIGHT: 275.199861
SMILES: C1=CC=C2C(=C1)NP(=O)(N2)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 7331-78-4
CAS Name: 6-bromo-3-methyl-2,4-dihydro-1,3-benzoxazine
OPENEYE Name: 6-bromo-3-methyl-2,4-dihydro-1,3-benzoxazine
IUPAC Name: 6-bromo-3-methyl-2,4-dihydro-1,3-benzoxazine
SYSTEMATIC NAME: 6-bromanyl-3-methyl-2,4-dihydro-1,3-benzoxazine
MOLECULAR FORMULA: C9H10BrNO
MOLECULAR WEIGHT: 228.0858
SMILES: CN1CC2=C(C=CC(=C2)Br)OC1
Structure:
CAS RN: 32997-99-2
CAS Name: 6-chloro-N2,N4-dicyclohexyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6-chloro-N2,N4-dicyclohexyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 6-chloro-2-N,4-N-dicyclohexyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-chloranyl-N2,N4-dicyclohexyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C15H24ClN5
MOLECULAR WEIGHT: 309.83756
SMILES: C1CCC(CC1)NC2=NC(=NC(=N2)Cl)NC3CCCCC3
Structure:
CAS RN: 91973-10-3
CAS Name: 1-(hydroxymethyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
OPENEYE Name: 1-(hydroxymethyl)-3,6-diisobutyl-piperazine-2,5-dione
IUPAC Name: 1-(hydroxymethyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
SYSTEMATIC NAME: 1-(hydroxymethyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
MOLECULAR FORMULA: C13H24N2O3
MOLECULAR WEIGHT: 256.34126
SMILES: CC(C)CC1C(=O)N(C(C(=O)N1)CC(C)C)CO
Structure:
CAS RN: 63715-98-0
CAS Name: N-(4-chlorophenyl)azo-N-phenylhydroxylamine
OPENEYE Name: N-(4-chlorophenyl)azo-N-phenyl-hydroxylamine
IUPAC Name: N-[(4-chlorophenyl)diazenyl]-N-phenylhydroxylamine
SYSTEMATIC NAME: N-[(4-chlorophenyl)diazenyl]-N-phenyl-hydroxylamine
MOLECULAR FORMULA: C12H10ClN3O
MOLECULAR WEIGHT: 247.6803
SMILES: C1=CC=C(C=C1)N(N=NC2=CC=C(C=C2)Cl)O
Structure:
CAS RN: 54628-21-6
CAS Name: 6-amino-4-oxo-1H-pyrimidine-2-carboxylic acid
OPENEYE Name: 6-amino-4-oxo-1H-pyrimidine-2-carboxylic acid
IUPAC Name: 6-amino-4-oxo-1H-pyrimidine-2-carboxylic acid
SYSTEMATIC NAME: 6-azanyl-4-oxidanylidene-1H-pyrimidine-2-carboxylic acid
MOLECULAR FORMULA: C5H5N3O3
MOLECULAR WEIGHT: 155.1115
SMILES: C1=C(NC(=NC1=O)C(=O)O)N
Structure:
CAS RN: 93993-03-4
CAS Name: 2-[butan-2-yl(nitroso)amino]acetic acid
OPENEYE Name: 2-[nitroso(sec-butyl)amino]acetic acid
IUPAC Name: 2-[butan-2-yl(nitroso)amino]acetic acid
SYSTEMATIC NAME: 2-[butan-2-yl(nitroso)amino]ethanoic acid
MOLECULAR FORMULA: C6H12N2O3
MOLECULAR WEIGHT: 160.17108
SMILES: CCC(C)N(CC(=O)O)N=O
Structure:
CAS RN: 10578-34-4
CAS Name: (2,4-dichlorophenyl)-(2-hydroxy-4-methoxyphenyl)methanone
OPENEYE Name: (2,4-dichlorophenyl)-(2-hydroxy-4-methoxy-phenyl)methanone
IUPAC Name: (2,4-dichlorophenyl)-(2-hydroxy-4-methoxyphenyl)methanone
SYSTEMATIC NAME: (2,4-dichlorophenyl)-(4-methoxy-2-oxidanyl-phenyl)methanone
MOLECULAR FORMULA: C14H10Cl2O3
MOLECULAR WEIGHT: 297.1334
SMILES: COC1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)Cl)Cl)O
Structure:
CAS RN: 5431-96-9
CAS Name: 1-(iodomethyl)-4-methylbenzene
OPENEYE Name: 1-(iodomethyl)-4-methyl-benzene
IUPAC Name: 1-(iodomethyl)-4-methylbenzene
SYSTEMATIC NAME: 1-(iodanylmethyl)-4-methyl-benzene
MOLECULAR FORMULA: C8H9I
MOLECULAR WEIGHT: 232.06153
SMILES: CC1=CC=C(C=C1)CI
Structure:
CAS RN: 6946-21-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H18O2
MOLECULAR WEIGHT: 350.40922
SMILES: CC1=CC(=O)C2=C(O1)C3=CC=CC=C3C(C4=CC=CC=C42)C5=CC=CC=C5
Structure:
CAS RN: 7144-50-5
CAS Name: 2-diphenylboranyloxy-N-methyl-2-phenylethanamine
OPENEYE Name: 2-diphenylboranyloxy-N-methyl-2-phenyl-ethanamine
IUPAC Name: 2-diphenylboranyloxy-N-methyl-2-phenylethanamine
SYSTEMATIC NAME: 2-diphenylboranyloxy-N-methyl-2-phenyl-ethanamine
MOLECULAR FORMULA: C21H22BNO
MOLECULAR WEIGHT: 315.21648
SMILES: B(C1=CC=CC=C1)(C2=CC=CC=C2)OC(CNC)C3=CC=CC=C3
Structure:
CAS RN: 6583-96-6
CAS Name: N-[7-[bis(2-hydroxyethyl)amino]-9H-fluoren-2-yl]acetamide
OPENEYE Name: N-[7-[bis(2-hydroxyethyl)amino]-9H-fluoren-2-yl]acetamide
IUPAC Name: N-[7-[bis(2-hydroxyethyl)amino]-9H-fluoren-2-yl]acetamide
SYSTEMATIC NAME: N-[7-[bis(2-hydroxyethyl)amino]-9H-fluoren-2-yl]ethanamide
MOLECULAR FORMULA: C19H22N2O3
MOLECULAR WEIGHT: 326.38958
SMILES: CC(=O)NC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)N(CCO)CCO
Structure:
CAS RN: 1691-66-3
CAS Name: 3-fluorofluoranthene
OPENEYE Name: 3-fluorofluoranthene
IUPAC Name: 3-fluorofluoranthene
SYSTEMATIC NAME: 3-fluoranylfluoranthene
MOLECULAR FORMULA: C16H9F
MOLECULAR WEIGHT: 220.241063
SMILES: C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)F
Structure:
CAS RN: 6633-33-6
CAS Name: 2-[[(3-bromo-9-oxo-2-fluorenyl)amino]-oxomethyl]benzoic acid
OPENEYE Name: 2-[(3-bromo-9-oxo-fluoren-2-yl)carbamoyl]benzoic acid
IUPAC Name: 2-[(3-bromo-9-oxofluoren-2-yl)carbamoyl]benzoic acid
SYSTEMATIC NAME: 2-[(3-bromanyl-9-oxidanylidene-fluoren-2-yl)carbamoyl]benzoic acid
MOLECULAR FORMULA: C21H12BrNO4
MOLECULAR WEIGHT: 422.22828
SMILES: C1=CC=C2C(=C1)C3=CC(=C(C=C3C2=O)NC(=O)C4=CC=CC=C4C(=O)O)Br
Structure:
CAS RN: 7148-37-0
CAS Name: 9H-fluorene-2,9-diamine
OPENEYE Name: 9H-fluorene-2,9-diamine
IUPAC Name: 9H-fluorene-2,9-diamine
SYSTEMATIC NAME: 9H-fluorene-2,9-diamine
MOLECULAR FORMULA: C13H12N2
MOLECULAR WEIGHT: 196.24778
SMILES: C1=CC=C2C3=C(C=C(C=C3)N)C(C2=C1)N
Structure:
CAS RN: 6633-09-6
CAS Name: N-(2,2-dimethylpropyl)-N'-(6-methoxy-8-quinolinyl)propane-1,3-diamine
OPENEYE Name: N-(2,2-dimethylpropyl)-N'-(6-methoxy-8-quinolyl)propane-1,3-diamine
IUPAC Name: N-(2,2-dimethylpropyl)-N'-(6-methoxyquinolin-8-yl)propane-1,3-diamine
SYSTEMATIC NAME: N-(2,2-dimethylpropyl)-N'-(6-methoxyquinolin-8-yl)propane-1,3-diamine
MOLECULAR FORMULA: C18H27N3O
MOLECULAR WEIGHT: 301.42648
SMILES: CC(C)(C)CNCCCNC1=C2C(=CC(=C1)OC)C=CC=N2
Structure:
CAS RN: 6633-02-9
CAS Name: N-(6-methoxy-8-quinolinyl)-N'-(2-methylbutan-2-yl)pentane-1,5-diamine
OPENEYE Name: N'-(1,1-dimethylpropyl)-N-(6-methoxy-8-quinolyl)pentane-1,5-diamine
IUPAC Name: N-(6-methoxyquinolin-8-yl)-N'-(2-methylbutan-2-yl)pentane-1,5-diamine
SYSTEMATIC NAME: N-(6-methoxyquinolin-8-yl)-N'-(2-methylbutan-2-yl)pentane-1,5-diamine
MOLECULAR FORMULA: C20H31N3O
MOLECULAR WEIGHT: 329.47964
SMILES: CCC(C)(C)NCCCCCNC1=C2C(=CC(=C1)OC)C=CC=N2
Structure:
CAS RN: 6633-01-8
CAS Name: N4,N4-dibutyl-N1-(7-chloro-4-quinolinyl)cyclohexane-1,4-diamine
OPENEYE Name: N4,N4-dibutyl-N1-(7-chloro-4-quinolyl)cyclohexane-1,4-diamine
IUPAC Name: 4-N,4-N-dibutyl-1-N-(7-chloroquinolin-4-yl)cyclohexane-1,4-diamine
SYSTEMATIC NAME: N4,N4-dibutyl-N1-(7-chloranylquinolin-4-yl)cyclohexane-1,4-diamine
MOLECULAR FORMULA: C23H34ClN3
MOLECULAR WEIGHT: 387.98916
SMILES: CCCCN(CCCC)C1CCC(CC1)NC2=C3C=CC(=CC3=NC=C2)Cl
Structure:
CAS RN: 7597-12-8
CAS Name: N-(6-chloro-2-methoxy-9-acridinyl)-N',N'-diethylheptane-1,7-diamine
OPENEYE Name: N-(6-chloro-2-methoxy-acridin-9-yl)-N',N'-diethyl-heptane-1,7-diamine
IUPAC Name: N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylheptane-1,7-diamine
SYSTEMATIC NAME: N-(6-chloranyl-2-methoxy-acridin-9-yl)-N',N'-diethyl-heptane-1,7-diamine
MOLECULAR FORMULA: C25H34ClN3O
MOLECULAR WEIGHT: 428.00996
SMILES: CCN(CC)CCCCCCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC
Structure:
CAS RN: 32571-50-9
CAS Name: 2-[3-[(7-chloro-4-quinolinyl)amino]propyl-(2-hydroxyethyl)amino]ethanol
OPENEYE Name: 2-[3-[(7-chloro-4-quinolyl)amino]propyl-(2-hydroxyethyl)amino]ethanol
IUPAC Name: 2-[3-[(7-chloroquinolin-4-yl)amino]propyl-(2-hydroxyethyl)amino]ethanol
SYSTEMATIC NAME: 2-[3-[(7-chloranylquinolin-4-yl)amino]propyl-(2-hydroxyethyl)amino]ethanol
MOLECULAR FORMULA: C16H22ClN3O2
MOLECULAR WEIGHT: 323.81778
SMILES: C1=CC2=C(C=CN=C2C=C1Cl)NCCCN(CCO)CCO
Structure:
CAS RN: 7597-04-8
CAS Name: acetic acid; 4-amino-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
OPENEYE Name: acetic acid; 4-amino-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
IUPAC Name: acetic acid; 4-amino-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SYSTEMATIC NAME: 4-azanyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide; ethanoic acid
MOLECULAR FORMULA: C15H15F3N2O4S
MOLECULAR WEIGHT: 376.35081
SMILES: CC(=O)O.C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)C(F)(F)F
Structure:
CAS RN: 6622-31-7
CAS Name: 4-amino-N-(4-amino-3,5-dichlorophenyl)benzenesulfonamide
OPENEYE Name: 4-amino-N-(4-amino-3,5-dichloro-phenyl)benzenesulfonamide
IUPAC Name: 4-amino-N-(4-amino-3,5-dichlorophenyl)benzenesulfonamide
SYSTEMATIC NAME: 4-azanyl-N-[4-azanyl-3,5-bis(chloranyl)phenyl]benzenesulfonamide
MOLECULAR FORMULA: C12H11Cl2N3O2S
MOLECULAR WEIGHT: 332.20564
SMILES: C1=CC(=CC=C1N)S(=O)(=O)NC2=CC(=C(C(=C2)Cl)N)Cl
Structure:
CAS RN: 6938-95-0
CAS Name: 4-amino-N-(3-bromo-4-methylphenyl)benzenesulfonamide
OPENEYE Name: 4-amino-N-(3-bromo-4-methyl-phenyl)benzenesulfonamide
IUPAC Name: 4-amino-N-(3-bromo-4-methylphenyl)benzenesulfonamide
SYSTEMATIC NAME: 4-azanyl-N-(3-bromanyl-4-methyl-phenyl)benzenesulfonamide
MOLECULAR FORMULA: C13H13BrN2O2S
MOLECULAR WEIGHT: 341.22352
SMILES: CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N)Br
Structure:
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