CAS RN: 4615-94-5
CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)propanoic acid
OPENEYE Name: 2-(4-oxo-3H-phthalazin-1-yl)propanoic acid
IUPAC Name: 2-(4-oxo-3H-phthalazin-1-yl)propanoic acid
SYSTEMATIC NAME: 2-(4-oxidanylidene-3H-phthalazin-1-yl)propanoic acid
MOLECULAR FORMULA: C11H10N2O3
MOLECULAR WEIGHT: 218.2087
SMILES: CC(C1=NNC(=O)C2=CC=CC=C21)C(=O)O
Structure:
CAS RN: 5241-52-1
CAS Name: N-(3,4-dimethylphenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
OPENEYE Name: N-(3,4-dimethylphenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
IUPAC Name: N-(3,4-dimethylphenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
SYSTEMATIC NAME: N-(3,4-dimethylphenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
MOLECULAR FORMULA: C14H12N4O3
MOLECULAR WEIGHT: 284.27008
SMILES: CC1=C(C=C(C=C1)NC2=CC=C(C3=NON=C23)[N+](=O)[O-])C
Structure:
CAS RN: 5241-44-1
CAS Name: 7-chloro-4-nitro-N-(3-nitrophenyl)-2,1,3-benzoxadiazol-5-amine
OPENEYE Name: 7-chloro-4-nitro-N-(3-nitrophenyl)-2,1,3-benzoxadiazol-5-amine
IUPAC Name: 7-chloro-4-nitro-N-(3-nitrophenyl)-2,1,3-benzoxadiazol-5-amine
SYSTEMATIC NAME: 7-chloranyl-4-nitro-N-(3-nitrophenyl)-2,1,3-benzoxadiazol-5-amine
MOLECULAR FORMULA: C12H6ClN5O5
MOLECULAR WEIGHT: 335.65954
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])NC2=C(C3=NON=C3C(=C2)Cl)[N+](=O)[O-]
Structure:
CAS RN: 5316-98-3
CAS Name: 4-nitrobenzoic acid 2-(4-morpholinyl)ethyl ester hydrochloride
OPENEYE Name: 2-morpholinoethyl 4-nitrobenzoate hydrochloride
IUPAC Name: 2-morpholin-4-ylethyl 4-nitrobenzoate hydrochloride
SYSTEMATIC NAME: 2-morpholin-4-ylethyl 4-nitrobenzoate hydrochloride
MOLECULAR FORMULA: C13H17ClN2O5
MOLECULAR WEIGHT: 316.73748
SMILES: C1COCCN1CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-].Cl
Structure:
CAS RN: 50683-75-5
CAS Name: N-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)ethanamine
OPENEYE Name: N-(isochroman-1-ylmethyl)ethanamine
IUPAC Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)ethanamine
SYSTEMATIC NAME: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)ethanamine
MOLECULAR FORMULA: C12H17NO
MOLECULAR WEIGHT: 191.26948
SMILES: CCNCC1C2=CC=CC=C2CCO1
Structure:
CAS RN: 5236-92-0
CAS Name: 1-(4-bromoanilino)-3-(3,6-dibromo-9-carbazolyl)-2-propanol
OPENEYE Name: 1-(4-bromoanilino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
IUPAC Name: 1-(4-bromoanilino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
SYSTEMATIC NAME: 1-[3,6-bis(bromanyl)carbazol-9-yl]-3-[(4-bromophenyl)amino]propan-2-ol
MOLECULAR FORMULA: C21H17Br3N2O
MOLECULAR WEIGHT: 553.08448
SMILES: C1=CC(=CC=C1NCC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)O)Br
Structure:
CAS RN: 5236-91-9
CAS Name: 1-(4-bromoanilino)-3-(3,6-dichloro-9-carbazolyl)-2-propanol
OPENEYE Name: 1-(4-bromoanilino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
IUPAC Name: 1-(4-bromoanilino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
SYSTEMATIC NAME: 1-[3,6-bis(chloranyl)carbazol-9-yl]-3-[(4-bromophenyl)amino]propan-2-ol
MOLECULAR FORMULA: C21H17BrCl2N2O
MOLECULAR WEIGHT: 464.18248
SMILES: C1=CC(=CC=C1NCC(CN2C3=C(C=C(C=C3)Cl)C4=C2C=CC(=C4)Cl)O)Br
Structure:
CAS RN: 6687-86-1
CAS Name: (E)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enoate
IUPAC Name: ethyl (E)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enoate
MOLECULAR FORMULA: C15H16N2O2
MOLECULAR WEIGHT: 256.29974
SMILES: CCOC(=O)/C(=C/N1CCCC2=CC=CC=C21)/C#N
Structure:
CAS RN: 28599-72-6
CAS Name: 4-(1-adamantylmethyl)-2-thiazolamine
OPENEYE Name: 4-(1-adamantylmethyl)thiazol-2-amine
IUPAC Name: 4-(1-adamantylmethyl)-1,3-thiazol-2-amine
SYSTEMATIC NAME: 4-(1-adamantylmethyl)-1,3-thiazol-2-amine
MOLECULAR FORMULA: C14H20N2S
MOLECULAR WEIGHT: 248.387
SMILES: C1C2CC3CC1CC(C2)(C3)CC4=CSC(=N4)N
Structure:
CAS RN: 88655-35-0
CAS Name: 1-[2-(3-methyl-4-propoxyphenyl)ethyl]-2-sulfanylidene-1,3-diazinan-4-one
OPENEYE Name: 1-[2-(3-methyl-4-propoxy-phenyl)ethyl]-2-thioxo-hexahydropyrimidin-4-one
IUPAC Name: 1-[2-(3-methyl-4-propoxyphenyl)ethyl]-2-sulfanylidene-1,3-diazinan-4-one
SYSTEMATIC NAME: 1-[2-(3-methyl-4-propoxy-phenyl)ethyl]-2-sulfanylidene-1,3-diazinan-4-one
MOLECULAR FORMULA: C16H22N2O2S
MOLECULAR WEIGHT: 306.42308
SMILES: CCCOC1=C(C=C(C=C1)CCN2CCC(=O)NC2=S)C
Structure:
CAS RN: 5233-95-4
CAS Name: 3,6-diethyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
OPENEYE Name: 3,6-diethyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
IUPAC Name: 3,6-diethyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
SYSTEMATIC NAME: 3,6-diethyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
MOLECULAR FORMULA: C10H18N4O2
MOLECULAR WEIGHT: 226.27552
SMILES: CCN1C2C(N(C1=O)C)N(C(=O)N2C)CC
Structure:
CAS RN: 5233-90-9
CAS Name: 4-[[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]methyl]benzoic acid
OPENEYE Name: 4-[[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]methyl]benzoic acid
IUPAC Name: 4-[[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]methyl]benzoic acid
MOLECULAR FORMULA: C14H19NO5
MOLECULAR WEIGHT: 281.30436
SMILES: CC(C)(CO)C(C(=O)NCC1=CC=C(C=C1)C(=O)O)O
Structure:
CAS RN: 172984-39-3
CAS Name: 2-[(3-methyl-4-oxo-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl)thio]acetic acid ethyl ester
OPENEYE Name: ethyl 2-(3-methyl-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetate
IUPAC Name: ethyl 2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetate
SYSTEMATIC NAME: ethyl 2-(3-methyl-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylethanoate
MOLECULAR FORMULA: C22H26N2O3S
MOLECULAR WEIGHT: 398.51844
SMILES: CCOC(=O)CSC1=NC2=C(C(=O)N1C)C3(CCCCC3)CC4=CC=CC=C42
Structure:
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