CAS RN: 112757-45-6
CAS Name: N-[4-(9-acridinylamino)butyl]-4-nitrobenzamide hydrochloride
OPENEYE Name: N-[4-(acridin-9-ylamino)butyl]-4-nitro-benzamide hydrochloride
IUPAC Name: N-[4-(acridin-9-ylamino)butyl]-4-nitrobenzamide hydrochloride
SYSTEMATIC NAME: N-[4-(acridin-9-ylamino)butyl]-4-nitro-benzamide hydrochloride
MOLECULAR FORMULA: C24H23ClN4O3
MOLECULAR WEIGHT: 450.91742
SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-].Cl
Structure:
CAS RN: 112022-07-8
CAS Name: N-[2-(dimethylamino)ethyl]-9-oxo-4-thioxanthenecarboxamide
OPENEYE Name: N-[2-(dimethylamino)ethyl]-9-oxo-thioxanthene-4-carboxamide
IUPAC Name: N-[2-(dimethylamino)ethyl]-9-oxothioxanthene-4-carboxamide
SYSTEMATIC NAME: N-[2-(dimethylamino)ethyl]-9-oxidanylidene-thioxanthene-4-carboxamide
MOLECULAR FORMULA: C18H18N2O2S
MOLECULAR WEIGHT: 326.41272
SMILES: CN(C)CCNC(=O)C1=CC=CC2=C1SC3=CC=CC=C3C2=O
Structure:
CAS RN: 112022-06-7
CAS Name: N-[2-(dimethylamino)ethyl]-9,10-dioxo-1-anthracenecarboxamide
OPENEYE Name: N-[2-(dimethylamino)ethyl]-9,10-dioxo-anthracene-1-carboxamide
IUPAC Name: N-[2-(dimethylamino)ethyl]-9,10-dioxoanthracene-1-carboxamide
SYSTEMATIC NAME: N-[2-(dimethylamino)ethyl]-9,10-bis(oxidanylidene)anthracene-1-carboxamide
MOLECULAR FORMULA: C19H18N2O3
MOLECULAR WEIGHT: 322.35782
SMILES: CN(C)CCNC(=O)C1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 111990-50-2
CAS Name: 2-[2-(1-naphthalenyl)ethyl]oxirane
OPENEYE Name: 2-[2-(1-naphthyl)ethyl]oxirane
IUPAC Name: 2-(2-naphthalen-1-ylethyl)oxirane
SYSTEMATIC NAME: 2-(2-naphthalen-1-ylethyl)oxirane
MOLECULAR FORMULA: C14H14O
MOLECULAR WEIGHT: 198.26036
SMILES: C1C(O1)CCC2=CC=CC3=CC=CC=C32
Structure:
CAS RN: 111990-49-9
CAS Name: 2-[2-(4-methylphenyl)ethyl]oxirane
OPENEYE Name: 2-[2-(p-tolyl)ethyl]oxirane
IUPAC Name: 2-[2-(4-methylphenyl)ethyl]oxirane
SYSTEMATIC NAME: 2-[2-(4-methylphenyl)ethyl]oxirane
MOLECULAR FORMULA: C11H14O
MOLECULAR WEIGHT: 162.22826
SMILES: CC1=CC=C(C=C1)CCC2CO2
Structure:
CAS RN: 111959-97-8
CAS Name: 2-[(2-chloro-1,1,2-trifluoroethyl)thio]-2-methylpropane
OPENEYE Name: 2-(2-chloro-1,1,2-trifluoro-ethyl)sulfanyl-2-methyl-propane
IUPAC Name: 2-(2-chloro-1,1,2-trifluoroethyl)sulfanyl-2-methylpropane
SYSTEMATIC NAME: 2-[2-chloranyl-1,1,2-tris(fluoranyl)ethyl]sulfanyl-2-methyl-propane
MOLECULAR FORMULA: C6H10ClF3S
MOLECULAR WEIGHT: 206.65681
SMILES: CC(C)(C)SC(C(F)Cl)(F)F
Structure:
CAS RN: 111782-80-0
CAS Name: N-octyl-9-acridinamine
OPENEYE Name: N-octylacridin-9-amine
IUPAC Name: N-octylacridin-9-amine
SYSTEMATIC NAME: N-octylacridin-9-amine
MOLECULAR FORMULA: C21H26N2
MOLECULAR WEIGHT: 306.44454
SMILES: CCCCCCCCNC1=C2C=CC=CC2=NC3=CC=CC=C31
Structure:
CAS RN: 932-92-3
CAS Name: 2,5-dimethyl-8-propan-2-ylnaphthalene-1,4-dione
OPENEYE Name: 8-isopropyl-2,5-dimethyl-naphthalene-1,4-dione
IUPAC Name: 2,5-dimethyl-8-propan-2-ylnaphthalene-1,4-dione
SYSTEMATIC NAME: 2,5-dimethyl-8-propan-2-yl-naphthalene-1,4-dione
MOLECULAR FORMULA: C15H16O2
MOLECULAR WEIGHT: 228.28634
SMILES: CC1=C2C(=O)C=C(C(=O)C2=C(C=C1)C(C)C)C
Structure:
CAS RN: 93253-17-9
CAS Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-(2,6,8-trioxo-7,9-dihydropurin-3-yl)-2-oxolanyl]methyl dihydrogen phosphate
OPENEYE Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-(2,6,8-trioxo-7,9-dihydropurin-3-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
IUPAC Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-(2,6,8-trioxo-7,9-dihydropurin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-[2,6,8-tris(oxidanylidene)-7,9-dihydropurin-3-yl]oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C10H13N4O10P
MOLECULAR WEIGHT: 380.204781
SMILES: C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC2=O)NC(=O)N3)O)O)OP(=O)(O)O
Structure:
CAS RN: 86946-16-9
CAS Name: 3-(2,4-dichlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
OPENEYE Name: 3-(2,4-dichlorophenyl)-N,N-dimethyl-indan-1-amine
IUPAC Name: 3-(2,4-dichlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
SYSTEMATIC NAME: 3-(2,4-dichlorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
MOLECULAR FORMULA: C17H17Cl2N
MOLECULAR WEIGHT: 306.22958
SMILES: CN(C)C1CC(C2=CC=CC=C12)C3=C(C=C(C=C3)Cl)Cl
Structure:
CAS RN: 93133-76-7
CAS Name: 5-[2-(dimethylamino)ethoxy]-7-oxo-6-benzo[c]fluorenecarboxylic acid 2-(dimethylamino)ethyl ester
OPENEYE Name: 2-(dimethylamino)ethyl 5-[2-(dimethylamino)ethoxy]-7-oxo-benzo[c]fluorene-6-carboxylate
IUPAC Name: 2-(dimethylamino)ethyl 5-[2-(dimethylamino)ethoxy]-7-oxobenzo[c]fluorene-6-carboxylate
SYSTEMATIC NAME: 2-(dimethylamino)ethyl 5-[2-(dimethylamino)ethoxy]-7-oxidanylidene-benzo[c]fluorene-6-carboxylate
MOLECULAR FORMULA: C26H28N2O4
MOLECULAR WEIGHT: 432.51152
SMILES: CN(C)CCOC1=C(C2=C(C3=CC=CC=C31)C4=CC=CC=C4C2=O)C(=O)OCCN(C)C
Structure:
CAS RN: 93132-70-8
CAS Name: acetic acid [(2R,3S,4R,5S)-3,4,6-triacetyloxy-5-[(2,2,2-trifluoro-1-oxoethyl)amino]-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3S,4R,5S)-3,4,6-triacetoxy-5-[(2,2,2-trifluoroacetyl)amino]tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [(2R,3S,4R,5S)-3,4,6-triacetyloxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3S,4R,5S)-3,4,6-triacetyloxy-5-[2,2,2-tris(fluoranyl)ethanoylamino]oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H20F3NO10
MOLECULAR WEIGHT: 443.32591
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](C(O1)OC(=O)C)NC(=O)C(F)(F)F)OC(=O)C)OC(=O)C
Structure:
CAS RN: 93117-08-9
CAS Name: 2-amino-4-arsonobutanoic acid hydrate
OPENEYE Name: 2-amino-4-arsono-butanoic acid hydrate
IUPAC Name: 2-amino-4-arsonobutanoic acid hydrate
SYSTEMATIC NAME: 4-arsono-2-azanyl-butanoic acid hydrate
MOLECULAR FORMULA: C4H12AsNO6
MOLECULAR WEIGHT: 245.06278
SMILES: C(C[As](=O)(O)O)C(C(=O)O)N.O
Structure:
CAS RN: 93042-74-1
CAS Name: (2S)-2,6-diaminohexanoic acid; 2-propylpentanoate
OPENEYE Name: (2S)-2,6-diaminohexanoic acid; 2-propylpentanoate
IUPAC Name: (2S)-2,6-diaminohexanoic acid; 2-propylpentanoate
SYSTEMATIC NAME: (2S)-2,6-bis(azanyl)hexanoic acid; 2-propylpentanoate
MOLECULAR FORMULA: C14H29N2O4-
MOLECULAR WEIGHT: 289.39106
SMILES: CCCC(CCC)C(=O)[O-].C(CCN)C[C@@H](C(=O)O)N
Structure:
CAS RN: 86799-45-3
CAS Name: 3-chloro-4-(dimethylamino)-2-furo[2,3-h][1]benzopyranone
OPENEYE Name: 3-chloro-4-(dimethylamino)furo[2,3-h]chromen-2-one
IUPAC Name: 3-chloro-4-(dimethylamino)furo[2,3-h]chromen-2-one
SYSTEMATIC NAME: 3-chloranyl-4-(dimethylamino)furo[2,3-h]chromen-2-one
MOLECULAR FORMULA: C13H10ClNO3
MOLECULAR WEIGHT: 263.6764
SMILES: CN(C)C1=C(C(=O)OC2=C1C=CC3=C2C=CO3)Cl
Structure:
CAS RN: 86797-92-4
CAS Name: N-(2,6-dimethylphenyl)-N-(2-hydroxyethyl)-2-piperidinecarboxamide hydrochloride
OPENEYE Name: N-(2,6-dimethylphenyl)-N-(2-hydroxyethyl)piperidine-2-carboxamide hydrochloride
IUPAC Name: N-(2,6-dimethylphenyl)-N-(2-hydroxyethyl)piperidine-2-carboxamide hydrochloride
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-N-(2-hydroxyethyl)piperidine-2-carboxamide hydrochloride
MOLECULAR FORMULA: C16H25ClN2O2
MOLECULAR WEIGHT: 312.8349
SMILES: CC1=C(C(=CC=C1)C)N(CCO)C(=O)C2CCCCN2.Cl
Structure:
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