CAS RN: 857-45-4
CAS Name: [(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
OPENEYE Name: [(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenyl-methanone
IUPAC Name: [(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
SYSTEMATIC NAME: [(2R,4S)-2-methyl-4-phenylazanyl-3,4-dihydro-2H-quinolin-1-yl]-phenyl-methanone
MOLECULAR FORMULA: C23H22N2O
MOLECULAR WEIGHT: 342.43358
SMILES: C[C@@H]1C[C@@H](C2=CC=CC=C2N1C(=O)C3=CC=CC=C3)NC4=CC=CC=C4
Structure:
CAS RN: 857-45-4
CAS Name: [(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
OPENEYE Name: [(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenyl-methanone
IUPAC Name: [(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
SYSTEMATIC NAME: [(2S,4S)-2-methyl-4-phenylazanyl-3,4-dihydro-2H-quinolin-1-yl]-phenyl-methanone
MOLECULAR FORMULA: C23H22N2O
MOLECULAR WEIGHT: 342.43358
SMILES: C[C@H]1C[C@@H](C2=CC=CC=C2N1C(=O)C3=CC=CC=C3)NC4=CC=CC=C4
Structure:
CAS RN: 857-45-4
CAS Name: [(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
OPENEYE Name: [(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenyl-methanone
IUPAC Name: [(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
SYSTEMATIC NAME: [(2R,4R)-2-methyl-4-phenylazanyl-3,4-dihydro-2H-quinolin-1-yl]-phenyl-methanone
MOLECULAR FORMULA: C23H22N2O
MOLECULAR WEIGHT: 342.43358
SMILES: C[C@@H]1C[C@H](C2=CC=CC=C2N1C(=O)C3=CC=CC=C3)NC4=CC=CC=C4
Structure:
CAS RN: 857-45-4
CAS Name: [(2S,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
OPENEYE Name: [(2S,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenyl-methanone
IUPAC Name: [(2S,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
SYSTEMATIC NAME: [(2S,4R)-2-methyl-4-phenylazanyl-3,4-dihydro-2H-quinolin-1-yl]-phenyl-methanone
MOLECULAR FORMULA: C23H22N2O
MOLECULAR WEIGHT: 342.43358
SMILES: C[C@H]1C[C@H](C2=CC=CC=C2N1C(=O)C3=CC=CC=C3)NC4=CC=CC=C4
Structure:
CAS RN: 2166-32-7
CAS Name: 3-(4-methylphenyl)-1H-pyridazin-6-one
OPENEYE Name: 3-(p-tolyl)-1H-pyridazin-6-one
IUPAC Name: 3-(4-methylphenyl)-1H-pyridazin-6-one
SYSTEMATIC NAME: 3-(4-methylphenyl)-1H-pyridazin-6-one
MOLECULAR FORMULA: C11H10N2O
MOLECULAR WEIGHT: 186.2099
SMILES: CC1=CC=C(C=C1)C2=NNC(=O)C=C2
Structure:
CAS RN: 555-68-0
CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(3-nitrophenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(3-nitrophenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(3-nitrophenyl)prop-2-enoic acid
MOLECULAR FORMULA: C9H7NO4
MOLECULAR WEIGHT: 193.15618
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)O
Structure:
CAS RN: 1772-76-5
CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(3-nitrophenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(3-nitrophenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(3-nitrophenyl)prop-2-enoic acid
MOLECULAR FORMULA: C9H7NO4
MOLECULAR WEIGHT: 193.15618
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)O
Structure:
CAS RN: 1671-49-4
CAS Name: 1-methyl-4-methylsulfonyl-2-nitrobenzene
OPENEYE Name: 1-methyl-4-methylsulfonyl-2-nitro-benzene
IUPAC Name: 1-methyl-4-methylsulfonyl-2-nitrobenzene
SYSTEMATIC NAME: 1-methyl-4-methylsulfonyl-2-nitro-benzene
MOLECULAR FORMULA: C8H9NO4S
MOLECULAR WEIGHT: 215.22636
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]
Structure:
CAS RN: 5219-82-9
CAS Name: (5-hydroxy-3-benzofuranyl)-(4-methoxyphenyl)methanone
OPENEYE Name: (5-hydroxybenzofuran-3-yl)-(4-methoxyphenyl)methanone
IUPAC Name: (5-hydroxy-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
SYSTEMATIC NAME: (4-methoxyphenyl)-(5-oxidanyl-1-benzofuran-3-yl)methanone
MOLECULAR FORMULA: C16H12O4
MOLECULAR WEIGHT: 268.26408
SMILES: COC1=CC=C(C=C1)C(=O)C2=COC3=C2C=C(C=C3)O
Structure:
CAS RN: 70918-53-5
CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid
OPENEYE Name: (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
IUPAC Name: (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
SYSTEMATIC NAME: (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
MOLECULAR FORMULA: C9H8O4
MOLECULAR WEIGHT: 180.15742
SMILES: C1[C@@H](OC2=CC=CC=C2O1)C(=O)O
Structure:
CAS RN: 70918-54-6
CAS Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid
OPENEYE Name: (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
IUPAC Name: (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
SYSTEMATIC NAME: (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
MOLECULAR FORMULA: C9H8O4
MOLECULAR WEIGHT: 180.15742
SMILES: C1[C@H](OC2=CC=CC=C2O1)C(=O)O
Structure:
CAS RN: 356538-93-7
CAS Name: [2-[(2,5-dimethylanilino)methyl]phenyl]methanol
OPENEYE Name: [2-[(2,5-dimethylanilino)methyl]phenyl]methanol
IUPAC Name: [2-[(2,5-dimethylanilino)methyl]phenyl]methanol
SYSTEMATIC NAME: [2-[[(2,5-dimethylphenyl)amino]methyl]phenyl]methanol
MOLECULAR FORMULA: C16H19NO
MOLECULAR WEIGHT: 241.32816
SMILES: CC1=CC(=C(C=C1)C)NCC2=CC=CC=C2CO
Structure:
CAS RN: 436099-77-3
CAS Name: [2-[(4-fluoroanilino)methyl]phenyl]methanol
OPENEYE Name: [2-[(4-fluoroanilino)methyl]phenyl]methanol
IUPAC Name: [2-[(4-fluoroanilino)methyl]phenyl]methanol
SYSTEMATIC NAME: [2-[[(4-fluorophenyl)amino]methyl]phenyl]methanol
MOLECULAR FORMULA: C14H14FNO
MOLECULAR WEIGHT: 231.265463
SMILES: C1=CC=C(C(=C1)CNC2=CC=C(C=C2)F)CO
Structure:
CAS RN: 1660-19-1
CAS Name: 2-(4-formyl-2-methoxyphenoxy)acetic acid
OPENEYE Name: 2-(4-formyl-2-methoxy-phenoxy)acetic acid
IUPAC Name: 2-(4-formyl-2-methoxyphenoxy)acetic acid
SYSTEMATIC NAME: 2-(4-methanoyl-2-methoxy-phenoxy)ethanoic acid
MOLECULAR FORMULA: C10H10O5
MOLECULAR WEIGHT: 210.1834
SMILES: COC1=C(C=CC(=C1)C=O)OCC(=O)O
Structure:
CAS RN: 148148-00-9
CAS Name: 1H-pyridazino[6,1-b]quinazoline-2,10-dione
OPENEYE Name: 1H-pyridazino[6,1-b]quinazoline-2,10-dione
IUPAC Name: 1H-pyridazino[6,1-b]quinazoline-2,10-dione
SYSTEMATIC NAME: 1H-pyridazino[6,1-b]quinazoline-2,10-dione
MOLECULAR FORMULA: C11H7N3O2
MOLECULAR WEIGHT: 213.19218
SMILES: C1=CC=C2C(=C1)C(=O)N3C(=N2)C=CC(=O)N3
Structure:
CAS RN: 21762-78-7
CAS Name: 6-amino-4H-1,4-benzothiazin-3-one
OPENEYE Name: 6-amino-4H-1,4-benzothiazin-3-one
IUPAC Name: 6-amino-4H-1,4-benzothiazin-3-one
SYSTEMATIC NAME: 6-azanyl-4H-1,4-benzothiazin-3-one
MOLECULAR FORMULA: C8H8N2OS
MOLECULAR WEIGHT: 180.22692
SMILES: C1C(=O)NC2=C(S1)C=CC(=C2)N
Structure:
CAS RN: 436086-95-2
CAS Name: 2-(5-oxo-2-thiophen-2-yl-1-cyclopentenyl)acetic acid
OPENEYE Name: 2-[5-oxo-2-(2-thienyl)cyclopenten-1-yl]acetic acid
IUPAC Name: 2-(5-oxo-2-thiophen-2-ylcyclopenten-1-yl)acetic acid
SYSTEMATIC NAME: 2-(5-oxidanylidene-2-thiophen-2-yl-cyclopenten-1-yl)ethanoic acid
MOLECULAR FORMULA: C11H10O3S
MOLECULAR WEIGHT: 222.2603
SMILES: C1CC(=O)C(=C1C2=CC=CS2)CC(=O)O
Structure:
CAS RN: 6598-12-5
CAS Name: 4,8-diethoxy-1,3-dimethylcyclohepta[c]pyrrole
OPENEYE Name: 4,8-diethoxy-1,3-dimethyl-cyclohepta[c]pyrrole
IUPAC Name: 4,8-diethoxy-1,3-dimethylcyclohepta[c]pyrrole
SYSTEMATIC NAME: 4,8-diethoxy-1,3-dimethyl-cyclohepta[c]pyrrole
MOLECULAR FORMULA: C15H19NO2
MOLECULAR WEIGHT: 245.31686
SMILES: CCOC1=C2C(=NC(=C2C(=CC=C1)OCC)C)C
Structure:
CAS RN: 40856-44-8
CAS Name: (3S)-3-amino-3-phenylpropanoic acid
OPENEYE Name: (3S)-3-amino-3-phenyl-propanoic acid
IUPAC Name: (3S)-3-amino-3-phenylpropanoic acid
SYSTEMATIC NAME: (3S)-3-azanyl-3-phenyl-propanoic acid
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: C1=CC=C(C=C1)[C@H](CC(=O)O)N
Structure:
CAS RN: 83649-48-3
CAS Name: (3R)-3-amino-3-phenylpropanoic acid
OPENEYE Name: (3R)-3-amino-3-phenyl-propanoic acid
IUPAC Name: (3R)-3-amino-3-phenylpropanoic acid
SYSTEMATIC NAME: (3R)-3-azanyl-3-phenyl-propanoic acid
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: C1=CC=C(C=C1)[C@@H](CC(=O)O)N
Structure:
CAS RN: 5928-42-7
CAS Name: 2-[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]-N-phenylacetamide
OPENEYE Name: 2-[2-(2,4-dimethylanilino)-2-oxo-ethyl]sulfanyl-N-phenyl-acetamide
IUPAC Name: 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide
SYSTEMATIC NAME: 2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-phenyl-ethanamide
MOLECULAR FORMULA: C18H20N2O2S
MOLECULAR WEIGHT: 328.4286
SMILES: CC1=CC(=C(C=C1)NC(=O)CSCC(=O)NC2=CC=CC=C2)C
Structure:
CAS RN: 55135-12-1
CAS Name: (3Z)-3-phenacylidene-2-piperazinone
OPENEYE Name: (3Z)-3-phenacylidenepiperazin-2-one
IUPAC Name: (3Z)-3-phenacylidenepiperazin-2-one
SYSTEMATIC NAME: (3Z)-3-phenacylidenepiperazin-2-one
MOLECULAR FORMULA: C12H12N2O2
MOLECULAR WEIGHT: 216.23588
SMILES: C1CNC(=O)/C(=C/C(=O)C2=CC=CC=C2)/N1
Structure:
CAS RN: 21487-27-4
CAS Name: 1-(2-methylphenyl)-3-(2-pyridinyl)thiourea
OPENEYE Name: 1-(o-tolyl)-3-(2-pyridyl)thiourea
IUPAC Name: 1-(2-methylphenyl)-3-pyridin-2-ylthiourea
SYSTEMATIC NAME: 1-(2-methylphenyl)-3-pyridin-2-yl-thiourea
MOLECULAR FORMULA: C13H13N3S
MOLECULAR WEIGHT: 243.32742
SMILES: CC1=CC=CC=C1NC(=S)NC2=CC=CC=N2
Structure:
CAS RN: 7157-91-7
CAS Name: 4-amino-3-prop-2-enyl-2-sulfanylidene-5-thiazolecarboxamide
OPENEYE Name: 3-allyl-4-amino-2-thioxo-thiazole-5-carboxamide
IUPAC Name: 4-amino-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
SYSTEMATIC NAME: 4-azanyl-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
MOLECULAR FORMULA: C7H9N3OS2
MOLECULAR WEIGHT: 215.29586
SMILES: C=CCN1C(=C(SC1=S)C(=O)N)N
Structure:
CAS RN: 38275-57-9
CAS Name: 5-bromo-2-pyrimidinecarbonitrile
OPENEYE Name: 5-bromopyrimidine-2-carbonitrile
IUPAC Name: 5-bromopyrimidine-2-carbonitrile
SYSTEMATIC NAME: 5-bromanylpyrimidine-2-carbonitrile
MOLECULAR FORMULA: C5H2BrN3
MOLECULAR WEIGHT: 183.99348
SMILES: C1=C(C=NC(=N1)C#N)Br
Structure:
CAS RN: 25347-93-7
CAS Name: 1-(2,6-dimethylphenyl)-3-phenylthiourea
OPENEYE Name: 1-(2,6-dimethylphenyl)-3-phenyl-thiourea
IUPAC Name: 1-(2,6-dimethylphenyl)-3-phenylthiourea
SYSTEMATIC NAME: 1-(2,6-dimethylphenyl)-3-phenyl-thiourea
MOLECULAR FORMULA: C15H16N2S
MOLECULAR WEIGHT: 256.36594
SMILES: CC1=C(C(=CC=C1)C)NC(=S)NC2=CC=CC=C2
Structure:
CAS RN: 1219-96-1
CAS Name: 1-(4-methoxyphenyl)-3-phenylthiourea
OPENEYE Name: 1-(4-methoxyphenyl)-3-phenyl-thiourea
IUPAC Name: 1-(4-methoxyphenyl)-3-phenylthiourea
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-3-phenyl-thiourea
MOLECULAR FORMULA: C14H14N2OS
MOLECULAR WEIGHT: 258.33876
SMILES: COC1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2
Structure:
CAS RN: 93368-81-1
CAS Name: N-methyl-4-morpholinecarbothioamide
OPENEYE Name: N-methylmorpholine-4-carbothioamide
IUPAC Name: N-methylmorpholine-4-carbothioamide
SYSTEMATIC NAME: N-methylmorpholine-4-carbothioamide
MOLECULAR FORMULA: C6H12N2OS
MOLECULAR WEIGHT: 160.23728
SMILES: CNC(=S)N1CCOCC1
Structure:
CAS RN: 65952-64-9
CAS Name: (Z)-2-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-propenenitrile
OPENEYE Name: (Z)-2-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
IUPAC Name: (Z)-2-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
SYSTEMATIC NAME: (Z)-2-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
MOLECULAR FORMULA: C17H14ClNO2
MOLECULAR WEIGHT: 299.75156
SMILES: COC1=C(C=C(C=C1)/C=C(\C#N)/C2=CC=C(C=C2)Cl)OC
Structure:
CAS RN: 104089-73-8
CAS Name: (Z)-2-(4-chlorophenyl)-3-(4-nitrophenyl)-2-propenenitrile
OPENEYE Name: (Z)-2-(4-chlorophenyl)-3-(4-nitrophenyl)prop-2-enenitrile
IUPAC Name: (Z)-2-(4-chlorophenyl)-3-(4-nitrophenyl)prop-2-enenitrile
SYSTEMATIC NAME: (Z)-2-(4-chlorophenyl)-3-(4-nitrophenyl)prop-2-enenitrile
MOLECULAR FORMULA: C15H9ClN2O2
MOLECULAR WEIGHT: 284.69716
SMILES: C1=CC(=CC=C1/C=C(\C#N)/C2=CC=C(C=C2)Cl)[N+](=O)[O-]
Structure:
CAS RN: 7431-35-8
CAS Name: (Z)-3-(4-nitrophenyl)-2-phenyl-2-propenenitrile
OPENEYE Name: (Z)-3-(4-nitrophenyl)-2-phenyl-prop-2-enenitrile
IUPAC Name: (Z)-3-(4-nitrophenyl)-2-phenylprop-2-enenitrile
SYSTEMATIC NAME: (Z)-3-(4-nitrophenyl)-2-phenyl-prop-2-enenitrile
MOLECULAR FORMULA: C15H10N2O2
MOLECULAR WEIGHT: 250.2521
SMILES: C1=CC=C(C=C1)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/C#N
Structure:
CAS RN: 24870-10-8
CAS Name: (E)-4-(4-methoxyanilino)-4-oxo-2-butenoic acid
OPENEYE Name: (E)-4-(4-methoxyanilino)-4-oxo-but-2-enoic acid
IUPAC Name: (E)-4-(4-methoxyanilino)-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-4-[(4-methoxyphenyl)amino]-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C11H11NO4
MOLECULAR WEIGHT: 221.20934
SMILES: COC1=CC=C(C=C1)NC(=O)/C=C/C(=O)O
Structure:
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