CAS RN: 5258-35-5
CAS Name: 1-(2-ethoxyphenyl)-4-[[4-(methylthio)phenyl]methyl]piperazine
OPENEYE Name: 1-(2-ethoxyphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine
IUPAC Name: 1-(2-ethoxyphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine
SYSTEMATIC NAME: 1-(2-ethoxyphenyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine
MOLECULAR FORMULA: C20H26N2OS
MOLECULAR WEIGHT: 342.49824
SMILES: CCOC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(C=C3)SC
Structure:
CAS RN: 52845-68-8
CAS Name: N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N,1-dimethyl-4-piperidinamine
OPENEYE Name: N-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-N,1-dimethyl-piperidin-4-amine
IUPAC Name: N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N,1-dimethylpiperidin-4-amine
SYSTEMATIC NAME: N-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-N,1-dimethyl-piperidin-4-amine
MOLECULAR FORMULA: C17H28N2O
MOLECULAR WEIGHT: 276.41702
SMILES: CC1=CC(=C(C=C1CN(C)C2CCN(CC2)C)C)OC
Structure:
CAS RN: 413620-13-0
CAS Name: 1-(4,6-diphenyl-2-pyrimidinyl)-1-methylhydrazine
OPENEYE Name: 1-(4,6-diphenylpyrimidin-2-yl)-1-methyl-hydrazine
IUPAC Name: 1-(4,6-diphenylpyrimidin-2-yl)-1-methylhydrazine
SYSTEMATIC NAME: 1-(4,6-diphenylpyrimidin-2-yl)-1-methyl-diazane
MOLECULAR FORMULA: C17H16N4
MOLECULAR WEIGHT: 276.33574
SMILES: CN(C1=NC(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)N
Structure:
CAS RN: 106554-43-2
CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-2-pyrrolidinone
OPENEYE Name: 1-(4-fluorobenzoyl)pyrrolidin-2-one
IUPAC Name: 1-(4-fluorobenzoyl)pyrrolidin-2-one
SYSTEMATIC NAME: 1-(4-fluorophenyl)carbonylpyrrolidin-2-one
MOLECULAR FORMULA: C11H10FNO2
MOLECULAR WEIGHT: 207.201003
SMILES: C1CC(=O)N(C1)C(=O)C2=CC=C(C=C2)F
Structure:
CAS RN: 109651-02-7
CAS Name: 4-amino-N-(4-ethoxyphenyl)benzamide
OPENEYE Name: 4-amino-N-(4-ethoxyphenyl)benzamide
IUPAC Name: 4-amino-N-(4-ethoxyphenyl)benzamide
SYSTEMATIC NAME: 4-azanyl-N-(4-ethoxyphenyl)benzamide
MOLECULAR FORMULA: C15H16N2O2
MOLECULAR WEIGHT: 256.29974
SMILES: CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N
Structure:
CAS RN: 5772-96-3
CAS Name: N-(9H-fluoren-2-yl)-4-methoxybenzamide
OPENEYE Name: N-(9H-fluoren-2-yl)-4-methoxy-benzamide
IUPAC Name: N-(9H-fluoren-2-yl)-4-methoxybenzamide
SYSTEMATIC NAME: N-(9H-fluoren-2-yl)-4-methoxy-benzamide
MOLECULAR FORMULA: C21H17NO2
MOLECULAR WEIGHT: 315.36518
SMILES: COC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C4=CC=CC=C4C3
Structure:
CAS RN: 52744-98-6
CAS Name: (E)-N-(4-methylphenyl)-3-(4-nitrophenyl)-2-propenamide
OPENEYE Name: (E)-3-(4-nitrophenyl)-N-(p-tolyl)prop-2-enamide
IUPAC Name: (E)-N-(4-methylphenyl)-3-(4-nitrophenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-(4-methylphenyl)-3-(4-nitrophenyl)prop-2-enamide
MOLECULAR FORMULA: C16H14N2O3
MOLECULAR WEIGHT: 282.29396
SMILES: CC1=CC=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 52744-26-0
CAS Name: (E)-N-(4-fluorophenyl)-3-(4-nitrophenyl)-2-propenamide
OPENEYE Name: (E)-N-(4-fluorophenyl)-3-(4-nitrophenyl)prop-2-enamide
IUPAC Name: (E)-N-(4-fluorophenyl)-3-(4-nitrophenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-(4-fluorophenyl)-3-(4-nitrophenyl)prop-2-enamide
MOLECULAR FORMULA: C15H11FN2O3
MOLECULAR WEIGHT: 286.257843
SMILES: C1=CC(=CC=C1/C=C/C(=O)NC2=CC=C(C=C2)F)[N+](=O)[O-]
Structure:
CAS RN: 36164-39-3
CAS Name: 4-chloro-2-methyl-3-(3-oxobutyl)-6-quinolinecarboxylic acid
OPENEYE Name: 4-chloro-2-methyl-3-(3-oxobutyl)quinoline-6-carboxylic acid
IUPAC Name: 4-chloro-2-methyl-3-(3-oxobutyl)quinoline-6-carboxylic acid
SYSTEMATIC NAME: 4-chloranyl-2-methyl-3-(3-oxidanylidenebutyl)quinoline-6-carboxylic acid
MOLECULAR FORMULA: C15H14ClNO3
MOLECULAR WEIGHT: 291.72956
SMILES: CC1=NC2=C(C=C(C=C2)C(=O)O)C(=C1CCC(=O)C)Cl
Structure:
CAS RN: 57276-28-5
CAS Name: 4-chloro-2-methyl-3-(3-oxobutyl)-6-quinolinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 4-chloro-2-methyl-3-(3-oxobutyl)quinoline-6-carboxylate
IUPAC Name: ethyl 4-chloro-2-methyl-3-(3-oxobutyl)quinoline-6-carboxylate
SYSTEMATIC NAME: ethyl 4-chloranyl-2-methyl-3-(3-oxidanylidenebutyl)quinoline-6-carboxylate
MOLECULAR FORMULA: C17H18ClNO3
MOLECULAR WEIGHT: 319.78272
SMILES: CCOC(=O)C1=CC2=C(C=C1)N=C(C(=C2Cl)CCC(=O)C)C
Structure:
CAS RN: 67342-76-1
CAS Name: N-[(2-chlorophenyl)methyl]-1-phenylmethanamine
OPENEYE Name: N-[(2-chlorophenyl)methyl]-1-phenyl-methanamine
IUPAC Name: N-[(2-chlorophenyl)methyl]-1-phenylmethanamine
SYSTEMATIC NAME: N-[(2-chlorophenyl)methyl]-1-phenyl-methanamine
MOLECULAR FORMULA: C14H14ClN
MOLECULAR WEIGHT: 231.72066
SMILES: C1=CC=C(C=C1)CNCC2=CC=CC=C2Cl
Structure:
CAS RN: 63411-79-0
CAS Name: 2-pyridin-4-yl-3H-imidazo[4,5-c]pyridine
OPENEYE Name: 2-(4-pyridyl)-3H-imidazo[4,5-c]pyridine
IUPAC Name: 2-pyridin-4-yl-3H-imidazo[4,5-c]pyridine
SYSTEMATIC NAME: 2-pyridin-4-yl-3H-imidazo[4,5-c]pyridine
MOLECULAR FORMULA: C11H8N4
MOLECULAR WEIGHT: 196.20802
SMILES: C1=CN=CC=C1C2=NC3=C(N2)C=NC=C3
Structure:
CAS RN: 300816-22-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H7ClN2S
MOLECULAR WEIGHT: 210.68328
SMILES: C1CC2=C(C1)SC3=C2C(=NC=N3)Cl
Structure:
CAS RN: 3695-94-1
CAS Name: (Z)-2,3-bis(4-chlorophenyl)-2-propenenitrile
OPENEYE Name: (Z)-2,3-bis(4-chlorophenyl)prop-2-enenitrile
IUPAC Name: (Z)-2,3-bis(4-chlorophenyl)prop-2-enenitrile
SYSTEMATIC NAME: (Z)-2,3-bis(4-chlorophenyl)prop-2-enenitrile
MOLECULAR FORMULA: C15H9Cl2N
MOLECULAR WEIGHT: 274.14466
SMILES: C1=CC(=CC=C1/C=C(\C#N)/C2=CC=C(C=C2)Cl)Cl
Structure:
CAS RN: 5262-10-2
CAS Name: N-phenylcarbamic acid (cyclopentylideneamino) ester
OPENEYE Name: (cyclopentylideneamino) N-phenylcarbamate
IUPAC Name: (cyclopentylideneamino) N-phenylcarbamate
SYSTEMATIC NAME: (cyclopentylideneamino) N-phenylcarbamate
MOLECULAR FORMULA: C12H14N2O2
MOLECULAR WEIGHT: 218.25176
SMILES: C1CCC(=NOC(=O)NC2=CC=CC=C2)C1
Structure:
CAS RN: 5229-48-1
CAS Name: benzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester
OPENEYE Name: [2-oxo-2-(p-tolyl)ethyl] benzoate
IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] benzoate
SYSTEMATIC NAME: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] benzoate
MOLECULAR FORMULA: C16H14O3
MOLECULAR WEIGHT: 254.28056
SMILES: CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2
Structure:
CAS RN: 328085-17-2
CAS Name: 2-(2-bromophenoxy)acetohydrazide
OPENEYE Name: 2-(2-bromophenoxy)acetohydrazide
IUPAC Name: 2-(2-bromophenoxy)acetohydrazide
SYSTEMATIC NAME: 2-(2-bromanylphenoxy)ethanehydrazide
MOLECULAR FORMULA: C8H9BrN2O2
MOLECULAR WEIGHT: 245.07326
SMILES: C1=CC=C(C(=C1)OCC(=O)NN)Br
Structure:
CAS RN: 35147-76-3
CAS Name: pyrene-1,3,6,8-tetrone
OPENEYE Name: pyrene-1,3,6,8-tetrone
IUPAC Name: pyrene-1,3,6,8-tetrone
SYSTEMATIC NAME: pyrene-1,3,6,8-tetrone
MOLECULAR FORMULA: C16H8O4
MOLECULAR WEIGHT: 264.23232
SMILES: C1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)CC4=O)C1=O
Structure:
CAS RN: 3803-20-1
CAS Name: naphthalene-1,4,5-tricarboxylic acid
OPENEYE Name: naphthalene-1,4,5-tricarboxylic acid
IUPAC Name: naphthalene-1,4,5-tricarboxylic acid
SYSTEMATIC NAME: naphthalene-1,4,5-tricarboxylic acid
MOLECULAR FORMULA: C13H8O6
MOLECULAR WEIGHT: 260.19902
SMILES: C1=CC2=C(C=CC(=C2C(=C1)C(=O)O)C(=O)O)C(=O)O
Structure:
CAS RN: 305337-12-6
CAS Name: 4-ethyl-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-ethyl-3-(m-tolyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-ethyl-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-ethyl-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C11H13N3S
MOLECULAR WEIGHT: 219.30602
SMILES: CCN1C(=NNC1=S)C2=CC(=CC=C2)C
Structure:
CAS RN: 120244-32-8
CAS Name: 2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-diazinane-4,6-dione
OPENEYE Name: 5-(2-thienylmethylene)-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C9H6N2O2S2
MOLECULAR WEIGHT: 238.28614
SMILES: C1=CSC(=C1)C=C2C(=O)NC(=S)NC2=O
Structure:
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