CAS RN: 763111-29-1
CAS Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carbohydrazide
OPENEYE Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carbohydrazide
IUPAC Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carbohydrazide
SYSTEMATIC NAME: 3-(4-fluorophenyl)-1H-pyrazole-5-carbohydrazide
MOLECULAR FORMULA: C10H9FN4O
MOLECULAR WEIGHT: 220.203063
SMILES: C1=CC(=CC=C1C2=NNC(=C2)C(=O)NN)F
Structure:
CAS RN: 99971-84-3
CAS Name: 4,6-dichloro-1-phenylpyrazolo[3,4-d]pyrimidine
OPENEYE Name: 4,6-dichloro-1-phenyl-pyrazolo[3,4-d]pyrimidine
IUPAC Name: 4,6-dichloro-1-phenylpyrazolo[3,4-d]pyrimidine
SYSTEMATIC NAME: 4,6-bis(chloranyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine
MOLECULAR FORMULA: C11H6Cl2N4
MOLECULAR WEIGHT: 265.09814
SMILES: C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC(=N3)Cl)Cl
Structure:
CAS RN: 36597-16-7
CAS Name: 3-amino-2-quinoxalinecarbonitrile
OPENEYE Name: 3-aminoquinoxaline-2-carbonitrile
IUPAC Name: 3-aminoquinoxaline-2-carbonitrile
SYSTEMATIC NAME: 3-azanylquinoxaline-2-carbonitrile
MOLECULAR FORMULA: C9H6N4
MOLECULAR WEIGHT: 170.17074
SMILES: C1=CC=C2C(=C1)N=C(C(=N2)N)C#N
Structure:
CAS RN: 18529-09-4
CAS Name: 4-chloro-2-methyl-7-(trifluoromethyl)quinoline
OPENEYE Name: 4-chloro-2-methyl-7-(trifluoromethyl)quinoline
IUPAC Name: 4-chloro-2-methyl-7-(trifluoromethyl)quinoline
SYSTEMATIC NAME: 4-chloranyl-2-methyl-7-(trifluoromethyl)quinoline
MOLECULAR FORMULA: C11H7ClF3N
MOLECULAR WEIGHT: 245.62819
SMILES: CC1=NC2=C(C=CC(=C2)C(F)(F)F)C(=C1)Cl
Structure:
CAS RN: 627470-09-1
CAS Name: 4-(hydrazinecarbonyl)-N-methyl-1H-imidazole-5-carboxamide
OPENEYE Name: 4-(hydrazinecarbonyl)-N-methyl-1H-imidazole-5-carboxamide
IUPAC Name: 4-(hydrazinecarbonyl)-N-methyl-1H-imidazole-5-carboxamide
SYSTEMATIC NAME: 4-(aminocarbamoyl)-N-methyl-1H-imidazole-5-carboxamide
MOLECULAR FORMULA: C6H9N5O2
MOLECULAR WEIGHT: 183.16796
SMILES: CNC(=O)C1=C(N=CN1)C(=O)NN
Structure:
CAS RN: 41052-88-4
CAS Name: 4-hydroxy-3-prop-2-enylbenzaldehyde
OPENEYE Name: 3-allyl-4-hydroxy-benzaldehyde
IUPAC Name: 4-hydroxy-3-prop-2-enylbenzaldehyde
SYSTEMATIC NAME: 4-oxidanyl-3-prop-2-enyl-benzaldehyde
MOLECULAR FORMULA: C10H10O2
MOLECULAR WEIGHT: 162.1852
SMILES: C=CCC1=C(C=CC(=C1)C=O)O
Structure:
CAS RN: 58669-32-2
CAS Name: 2-methyl-N-(2-pyridinylmethyl)-2-propanamine
OPENEYE Name: 2-methyl-N-(2-pyridylmethyl)propan-2-amine
IUPAC Name: 2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine
SYSTEMATIC NAME: 2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine
MOLECULAR FORMULA: C10H16N2
MOLECULAR WEIGHT: 164.24744
SMILES: CC(C)(C)NCC1=CC=CC=N1
Structure:
CAS RN: 115881-56-6
CAS Name: N-(2-furanylmethyl)-2-methyl-2-propanamine
OPENEYE Name: N-(2-furylmethyl)-2-methyl-propan-2-amine
IUPAC Name: N-(furan-2-ylmethyl)-2-methylpropan-2-amine
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-2-methyl-propan-2-amine
MOLECULAR FORMULA: C9H15NO
MOLECULAR WEIGHT: 153.2215
SMILES: CC(C)(C)NCC1=CC=CO1
Structure:
CAS RN: 807343-02-8
CAS Name: N-[(2-methylphenyl)methyl]-1-propanamine
OPENEYE Name: N-(o-tolylmethyl)propan-1-amine
IUPAC Name: N-[(2-methylphenyl)methyl]propan-1-amine
SYSTEMATIC NAME: N-[(2-methylphenyl)methyl]propan-1-amine
MOLECULAR FORMULA: C11H17N
MOLECULAR WEIGHT: 163.25938
SMILES: CCCNCC1=CC=CC=C1C
Structure:
CAS RN: 893611-23-9
CAS Name: N-[(2-methoxyphenyl)methyl]-1-butanamine
OPENEYE Name: N-[(2-methoxyphenyl)methyl]butan-1-amine
IUPAC Name: N-[(2-methoxyphenyl)methyl]butan-1-amine
SYSTEMATIC NAME: N-[(2-methoxyphenyl)methyl]butan-1-amine
MOLECULAR FORMULA: C12H19NO
MOLECULAR WEIGHT: 193.28536
SMILES: CCCCNCC1=CC=CC=C1OC
Structure:
CAS RN: 40172-05-2
CAS Name: 2-[(2,6-dichlorophenyl)methylamino]ethanol
OPENEYE Name: 2-[(2,6-dichlorophenyl)methylamino]ethanol
IUPAC Name: 2-[(2,6-dichlorophenyl)methylamino]ethanol
SYSTEMATIC NAME: 2-[[2,6-bis(chloranyl)phenyl]methylamino]ethanol
MOLECULAR FORMULA: C9H11Cl2NO
MOLECULAR WEIGHT: 220.09574
SMILES: C1=CC(=C(C(=C1)Cl)CNCCO)Cl
Structure:
CAS RN: 20173-12-0
CAS Name: N-(3-pyridinylmethyl)-1-butanamine
OPENEYE Name: N-(3-pyridylmethyl)butan-1-amine
IUPAC Name: N-(pyridin-3-ylmethyl)butan-1-amine
SYSTEMATIC NAME: N-(pyridin-3-ylmethyl)butan-1-amine
MOLECULAR FORMULA: C10H16N2
MOLECULAR WEIGHT: 164.24744
SMILES: CCCCNCC1=CN=CC=C1
Structure:
CAS RN: 852399-96-3
CAS Name: 2-methoxy-N-(thiophen-2-ylmethyl)ethanamine
OPENEYE Name: 2-methoxy-N-(2-thienylmethyl)ethanamine
IUPAC Name: 2-methoxy-N-(thiophen-2-ylmethyl)ethanamine
SYSTEMATIC NAME: 2-methoxy-N-(thiophen-2-ylmethyl)ethanamine
MOLECULAR FORMULA: C8H13NOS
MOLECULAR WEIGHT: 171.25992
SMILES: COCCNCC1=CC=CS1
Structure:
CAS RN: 869941-70-8
CAS Name: N-(3-pyridinylmethyl)-2-butanamine
OPENEYE Name: N-(3-pyridylmethyl)butan-2-amine
IUPAC Name: N-(pyridin-3-ylmethyl)butan-2-amine
SYSTEMATIC NAME: N-(pyridin-3-ylmethyl)butan-2-amine
MOLECULAR FORMULA: C10H16N2
MOLECULAR WEIGHT: 164.24744
SMILES: CCC(C)NCC1=CN=CC=C1
Structure:
CAS RN: 3000-75-7
CAS Name: N-(3-pyridinylmethyl)ethanamine
OPENEYE Name: N-(3-pyridylmethyl)ethanamine
IUPAC Name: N-(pyridin-3-ylmethyl)ethanamine
SYSTEMATIC NAME: N-(pyridin-3-ylmethyl)ethanamine
MOLECULAR FORMULA: C8H12N2
MOLECULAR WEIGHT: 136.19428
SMILES: CCNCC1=CN=CC=C1
Structure:
CAS RN: 103027-97-0
CAS Name: 1H-indole-2,6-dicarboxylic acid
OPENEYE Name: 1H-indole-2,6-dicarboxylic acid
IUPAC Name: 1H-indole-2,6-dicarboxylic acid
SYSTEMATIC NAME: 1H-indole-2,6-dicarboxylic acid
MOLECULAR FORMULA: C10H7NO4
MOLECULAR WEIGHT: 205.16688
SMILES: C1=CC2=C(C=C1C(=O)O)NC(=C2)C(=O)O
Structure:
CAS RN: 50385-28-9
CAS Name: 2-[2-(2-pyridinyl)ethyl]aniline
OPENEYE Name: 2-[2-(2-pyridyl)ethyl]aniline
IUPAC Name: 2-(2-pyridin-2-ylethyl)aniline
SYSTEMATIC NAME: 2-(2-pyridin-2-ylethyl)aniline
MOLECULAR FORMULA: C13H14N2
MOLECULAR WEIGHT: 198.26366
SMILES: C1=CC=C(C(=C1)CCC2=CC=CC=N2)N
Structure:
CAS RN: 25629-32-7
CAS Name: 2-(3-oxo-1-piperazinyl)acetic acid
OPENEYE Name: 2-(3-oxopiperazin-1-yl)acetic acid
IUPAC Name: 2-(3-oxopiperazin-1-yl)acetic acid
SYSTEMATIC NAME: 2-(3-oxidanylidenepiperazin-1-yl)ethanoic acid
MOLECULAR FORMULA: C6H10N2O3
MOLECULAR WEIGHT: 158.1552
SMILES: C1CN(CC(=O)N1)CC(=O)O
Structure:
CAS RN: 399580-55-3
CAS Name: 4-(methoxymethyl)piperidine
OPENEYE Name: 4-(methoxymethyl)piperidine
IUPAC Name: 4-(methoxymethyl)piperidine
SYSTEMATIC NAME: 4-(methoxymethyl)piperidine
MOLECULAR FORMULA: C7H15NO
MOLECULAR WEIGHT: 129.2001
SMILES: COCC1CCNCC1
Structure:
CAS RN: 881040-29-5
CAS Name: 1H-indole-2,6-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 1H-indole-2,6-dicarboxylate
IUPAC Name: dimethyl 1H-indole-2,6-dicarboxylate
SYSTEMATIC NAME: dimethyl 1H-indole-2,6-dicarboxylate
MOLECULAR FORMULA: C12H11NO4
MOLECULAR WEIGHT: 233.22004
SMILES: COC(=O)C1=CC2=C(C=C1)C=C(N2)C(=O)OC
Structure:
CAS RN: 37572-22-8
CAS Name: 3-amino-5-(4-methylphenyl)-2-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 3-amino-5-(p-tolyl)thiophene-2-carboxylate
IUPAC Name: ethyl 3-amino-5-(4-methylphenyl)thiophene-2-carboxylate
SYSTEMATIC NAME: ethyl 3-azanyl-5-(4-methylphenyl)thiophene-2-carboxylate
MOLECULAR FORMULA: C14H15NO2S
MOLECULAR WEIGHT: 261.3394
SMILES: CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)C)N
Structure:
CAS RN: 30766-12-2
CAS Name: 5-hydroxy-2-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 5-hydroxypyridine-2-carboxylate
IUPAC Name: methyl 5-hydroxypyridine-2-carboxylate
SYSTEMATIC NAME: methyl 5-oxidanylpyridine-2-carboxylate
MOLECULAR FORMULA: C7H7NO3
MOLECULAR WEIGHT: 153.13538
SMILES: COC(=O)C1=NC=C(C=C1)O
Structure:
CAS RN: 923283-54-9
CAS Name: 4-amino-2-methyl-3-pyrazolecarboxylic acid methyl ester
OPENEYE Name: methyl 4-amino-2-methyl-pyrazole-3-carboxylate
IUPAC Name: methyl 4-amino-2-methylpyrazole-3-carboxylate
SYSTEMATIC NAME: methyl 4-azanyl-2-methyl-pyrazole-3-carboxylate
MOLECULAR FORMULA: C6H9N3O2
MOLECULAR WEIGHT: 155.15456
SMILES: CN1C(=C(C=N1)N)C(=O)OC
Structure:
CAS RN: 24973-22-6
CAS Name: 3-methoxy-4-methylbenzaldehyde
OPENEYE Name: 3-methoxy-4-methyl-benzaldehyde
IUPAC Name: 3-methoxy-4-methylbenzaldehyde
SYSTEMATIC NAME: 3-methoxy-4-methyl-benzaldehyde
MOLECULAR FORMULA: C9H10O2
MOLECULAR WEIGHT: 150.1745
SMILES: CC1=C(C=C(C=C1)C=O)OC
Structure:
CAS RN: 956758-69-3
CAS Name: 3-(4-methyl-1-pyrazolyl)-1-propanamine
OPENEYE Name: 3-(4-methylpyrazol-1-yl)propan-1-amine
IUPAC Name: 3-(4-methylpyrazol-1-yl)propan-1-amine
SYSTEMATIC NAME: 3-(4-methylpyrazol-1-yl)propan-1-amine
MOLECULAR FORMULA: C7H13N3
MOLECULAR WEIGHT: 139.19822
SMILES: CC1=CN(N=C1)CCCN
Structure:
CAS RN: 67309-38-0
CAS Name: 4-methyl-1-phenyl-2-pentanamine
OPENEYE Name: 4-methyl-1-phenyl-pentan-2-amine
IUPAC Name: 4-methyl-1-phenylpentan-2-amine
SYSTEMATIC NAME: 4-methyl-1-phenyl-pentan-2-amine
MOLECULAR FORMULA: C12H19N
MOLECULAR WEIGHT: 177.28596
SMILES: CC(C)CC(CC1=CC=CC=C1)N
Structure:
CAS RN: 91348-45-7
CAS Name: 3-bromo-1H-indole-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 3-bromo-1H-indole-2-carboxylate
IUPAC Name: ethyl 3-bromo-1H-indole-2-carboxylate
SYSTEMATIC NAME: ethyl 3-bromanyl-1H-indole-2-carboxylate
MOLECULAR FORMULA: C11H10BrNO2
MOLECULAR WEIGHT: 268.1066
SMILES: CCOC(=O)C1=C(C2=CC=CC=C2N1)Br
Structure:
CAS RN: 105972-24-5
CAS Name: 2-(2-pyridin-4-ylethyl)aniline
OPENEYE Name: 2-[2-(4-pyridyl)ethyl]aniline
IUPAC Name: 2-(2-pyridin-4-ylethyl)aniline
SYSTEMATIC NAME: 2-(2-pyridin-4-ylethyl)aniline
MOLECULAR FORMULA: C13H14N2
MOLECULAR WEIGHT: 198.26366
SMILES: C1=CC=C(C(=C1)CCC2=CC=NC=C2)N
Structure:
CAS RN: 105191-13-7
CAS Name: 5-cyano-1H-indole-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-cyano-1H-indole-2-carboxylate
IUPAC Name: ethyl 5-cyano-1H-indole-2-carboxylate
SYSTEMATIC NAME: ethyl 5-cyano-1H-indole-2-carboxylate
MOLECULAR FORMULA: C12H10N2O2
MOLECULAR WEIGHT: 214.22
SMILES: CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C#N
Structure:
CAS RN: 128071-75-0
CAS Name: 2-bromo-3-pyridinecarboxaldehyde
OPENEYE Name: 2-bromopyridine-3-carbaldehyde
IUPAC Name: 2-bromopyridine-3-carbaldehyde
SYSTEMATIC NAME: 2-bromanylpyridine-3-carbaldehyde
MOLECULAR FORMULA: C6H4BrNO
MOLECULAR WEIGHT: 186.00606
SMILES: C1=CC(=C(N=C1)Br)C=O
Structure:
CAS RN: 69635-13-8
CAS Name: 1,4-bis(phenylmethyl)-4-piperidinol
OPENEYE Name: 1,4-dibenzylpiperidin-4-ol
IUPAC Name: 1,4-dibenzylpiperidin-4-ol
SYSTEMATIC NAME: 1,4-bis(phenylmethyl)piperidin-4-ol
MOLECULAR FORMULA: C19H23NO
MOLECULAR WEIGHT: 281.39202
SMILES: C1CN(CCC1(CC2=CC=CC=C2)O)CC3=CC=CC=C3
Structure:
CAS RN: 332174-65-9
CAS Name: N-[(4-chlorophenyl)-(2-hydroxy-1-naphthalenyl)methyl]acetamide
OPENEYE Name: N-[(4-chlorophenyl)-(2-hydroxy-1-naphthyl)methyl]acetamide
IUPAC Name: N-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
SYSTEMATIC NAME: N-[(4-chlorophenyl)-(2-oxidanylnaphthalen-1-yl)methyl]ethanamide
MOLECULAR FORMULA: C19H16ClNO2
MOLECULAR WEIGHT: 325.78884
SMILES: CC(=O)NC(C1=CC=C(C=C1)Cl)C2=C(C=CC3=CC=CC=C32)O
Structure:
CAS RN: 64383-29-5
CAS Name: 2-chloro-6-phenoxypyrazine
OPENEYE Name: 2-chloro-6-phenoxy-pyrazine
IUPAC Name: 2-chloro-6-phenoxypyrazine
SYSTEMATIC NAME: 2-chloranyl-6-phenoxy-pyrazine
MOLECULAR FORMULA: C10H7ClN2O
MOLECULAR WEIGHT: 206.62838
SMILES: C1=CC=C(C=C1)OC2=CN=CC(=N2)Cl
Structure:
CAS RN: 42980-64-3
CAS Name: 2-methyl-3-(4-morpholinyl)propanoic acid ethyl ester
OPENEYE Name: ethyl 2-methyl-3-morpholino-propanoate
IUPAC Name: ethyl 2-methyl-3-morpholin-4-ylpropanoate
SYSTEMATIC NAME: ethyl 2-methyl-3-morpholin-4-yl-propanoate
MOLECULAR FORMULA: C10H19NO3
MOLECULAR WEIGHT: 201.26276
SMILES: CCOC(=O)C(C)CN1CCOCC1
Structure:
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