CAS RN: 914637-54-0
CAS Name: 5-oxo-1-(2-thiazolyl)-3-pyrrolidinecarboxylic acid
OPENEYE Name: 5-oxo-1-thiazol-2-yl-pyrrolidine-3-carboxylic acid
IUPAC Name: 5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: 5-oxidanylidene-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C8H8N2O3S
MOLECULAR WEIGHT: 212.22572
SMILES: C1C(CN(C1=O)C2=NC=CS2)C(=O)O
Structure:
CAS RN: 696647-78-6
CAS Name: 1-cyclopentyl-5-oxo-3-pyrrolidinecarboxylic acid
OPENEYE Name: 1-cyclopentyl-5-oxo-pyrrolidine-3-carboxylic acid
IUPAC Name: 1-cyclopentyl-5-oxopyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: 1-cyclopentyl-5-oxidanylidene-pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C10H15NO3
MOLECULAR WEIGHT: 197.231
SMILES: C1CCC(C1)N2CC(CC2=O)C(=O)O
Structure:
CAS RN: 19313-85-0
CAS Name: 4-(1-oxopropylamino)benzoic acid
OPENEYE Name: 4-(propanoylamino)benzoic acid
IUPAC Name: 4-(propanoylamino)benzoic acid
SYSTEMATIC NAME: 4-(propanoylamino)benzoic acid
MOLECULAR FORMULA: C10H11NO3
MOLECULAR WEIGHT: 193.19924
SMILES: CCC(=O)NC1=CC=C(C=C1)C(=O)O
Structure:
CAS RN: 72836-32-9
CAS Name: 5-pentan-2-yl-1,3,4-thiadiazol-2-amine
OPENEYE Name: 5-(1-methylbutyl)-1,3,4-thiadiazol-2-amine
IUPAC Name: 5-pentan-2-yl-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: 5-pentan-2-yl-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C7H13N3S
MOLECULAR WEIGHT: 171.26322
SMILES: CCCC(C)C1=NN=C(S1)N
Structure:
CAS RN: 4771-49-7
CAS Name: 6-methyl-1H-indole-3-carboxaldehyde
OPENEYE Name: 6-methyl-1H-indole-3-carbaldehyde
IUPAC Name: 6-methyl-1H-indole-3-carbaldehyde
SYSTEMATIC NAME: 6-methyl-1H-indole-3-carbaldehyde
MOLECULAR FORMULA: C10H9NO
MOLECULAR WEIGHT: 159.18456
SMILES: CC1=CC2=C(C=C1)C(=CN2)C=O
Structure:
CAS RN: 58255-18-8
CAS Name: methyl(thiophen-2-ylmethyl)ammonium
OPENEYE Name: methyl(2-thienylmethyl)ammonium
IUPAC Name: methyl(thiophen-2-ylmethyl)azanium
SYSTEMATIC NAME: methyl(thiophen-2-ylmethyl)azanium
MOLECULAR FORMULA: C6H10NS+
MOLECULAR WEIGHT: 128.2153
SMILES: C[NH2+]CC1=CC=CS1
Structure:
CAS RN: 886504-94-5
CAS Name: 2-methoxy-N-(2-thiazolylmethyl)ethanamine
OPENEYE Name: 2-methoxy-N-(thiazol-2-ylmethyl)ethanamine
IUPAC Name: 2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine
SYSTEMATIC NAME: 2-methoxy-N-(1,3-thiazol-2-ylmethyl)ethanamine
MOLECULAR FORMULA: C7H12N2OS
MOLECULAR WEIGHT: 172.24798
SMILES: COCCNCC1=NC=CS1
Structure:
CAS RN: 70894-74-5
CAS Name: N-[(4-methoxyphenyl)methyl]-2-propanamine
OPENEYE Name: N-[(4-methoxyphenyl)methyl]propan-2-amine
IUPAC Name: N-[(4-methoxyphenyl)methyl]propan-2-amine
SYSTEMATIC NAME: N-[(4-methoxyphenyl)methyl]propan-2-amine
MOLECULAR FORMULA: C11H17NO
MOLECULAR WEIGHT: 179.25878
SMILES: CC(C)NCC1=CC=C(C=C1)OC
Structure:
CAS RN: 175915-12-5
CAS Name: N-[(5-methyl-2-furanyl)methyl]ethanamine
OPENEYE Name: N-[(5-methyl-2-furyl)methyl]ethanamine
IUPAC Name: N-[(5-methylfuran-2-yl)methyl]ethanamine
SYSTEMATIC NAME: N-[(5-methylfuran-2-yl)methyl]ethanamine
MOLECULAR FORMULA: C8H13NO
MOLECULAR WEIGHT: 139.19492
SMILES: CCNCC1=CC=C(O1)C
Structure:
CAS RN: 247235-78-5
CAS Name: 1-phenyl-N-(2-thiazolylmethyl)methanamine
OPENEYE Name: 1-phenyl-N-(thiazol-2-ylmethyl)methanamine
IUPAC Name: 1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine
SYSTEMATIC NAME: 1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine
MOLECULAR FORMULA: C11H12N2S
MOLECULAR WEIGHT: 204.29138
SMILES: C1=CC=C(C=C1)CNCC2=NC=CS2
Structure:
CAS RN: 474056-47-8
CAS Name: N-[(1-methyl-2-imidazolyl)methyl]-2-propanamine
OPENEYE Name: N-[(1-methylimidazol-2-yl)methyl]propan-2-amine
IUPAC Name: N-[(1-methylimidazol-2-yl)methyl]propan-2-amine
SYSTEMATIC NAME: N-[(1-methylimidazol-2-yl)methyl]propan-2-amine
MOLECULAR FORMULA: C8H15N3
MOLECULAR WEIGHT: 153.2248
SMILES: CC(C)NCC1=NC=CN1C
Structure:
CAS RN: 642075-18-1
CAS Name: N-[(1-methyl-2-imidazolyl)methyl]ethanamine
OPENEYE Name: N-[(1-methylimidazol-2-yl)methyl]ethanamine
IUPAC Name: N-[(1-methylimidazol-2-yl)methyl]ethanamine
SYSTEMATIC NAME: N-[(1-methylimidazol-2-yl)methyl]ethanamine
MOLECULAR FORMULA: C7H13N3
MOLECULAR WEIGHT: 139.19822
SMILES: CCNCC1=NC=CN1C
Structure:
CAS RN: 50740-38-0
CAS Name: 2-(2-ethylanilino)-2-oxoacetic acid
OPENEYE Name: 2-(2-ethylanilino)-2-oxo-acetic acid
IUPAC Name: 2-(2-ethylanilino)-2-oxoacetic acid
SYSTEMATIC NAME: 2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C10H11NO3
MOLECULAR WEIGHT: 193.19924
SMILES: CCC1=CC=CC=C1NC(=O)C(=O)O
Structure:
CAS RN: 93211-24-6
CAS Name: 3-[(1-methyl-5-tetrazolyl)thio]propanoic acid
OPENEYE Name: 3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid
IUPAC Name: 3-(1-methyltetrazol-5-yl)sulfanylpropanoic acid
SYSTEMATIC NAME: 3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoic acid
MOLECULAR FORMULA: C5H8N4O2S
MOLECULAR WEIGHT: 188.20762
SMILES: CN1C(=NN=N1)SCCC(=O)O
Structure:
CAS RN: 40932-71-6
CAS Name: N-(4-bromophenyl)-4-nitroaniline
OPENEYE Name: N-(4-bromophenyl)-4-nitro-aniline
IUPAC Name: N-(4-bromophenyl)-4-nitroaniline
SYSTEMATIC NAME: N-(4-bromophenyl)-4-nitro-aniline
MOLECULAR FORMULA: C12H9BrN2O2
MOLECULAR WEIGHT: 293.11606
SMILES: C1=CC(=CC=C1NC2=CC=C(C=C2)Br)[N+](=O)[O-]
Structure:
CAS RN: 21744-55-8
CAS Name: 5-methylsulfonyl-2H-tetrazole
OPENEYE Name: 5-methylsulfonyl-2H-tetrazole
IUPAC Name: 5-methylsulfonyl-2H-tetrazole
SYSTEMATIC NAME: 5-methylsulfonyl-2H-1,2,3,4-tetrazole
MOLECULAR FORMULA: C2H4N4O2S
MOLECULAR WEIGHT: 148.14376
SMILES: CS(=O)(=O)C1=NNN=N1
Structure:
CAS RN: 123207-61-4
CAS Name: 3-(2,2,2-trifluoroethoxy)aniline
OPENEYE Name: 3-(2,2,2-trifluoroethoxy)aniline
IUPAC Name: 3-(2,2,2-trifluoroethoxy)aniline
SYSTEMATIC NAME: 3-[2,2,2-tris(fluoranyl)ethoxy]aniline
MOLECULAR FORMULA: C8H8F3NO
MOLECULAR WEIGHT: 191.15043
SMILES: C1=CC(=CC(=C1)OCC(F)(F)F)N
Structure:
CAS RN: 514209-40-6
CAS Name: 2-[(4-methyl-1-piperazinyl)methyl]benzoic acid
OPENEYE Name: 2-[(4-methylpiperazin-1-yl)methyl]benzoic acid
IUPAC Name: 2-[(4-methylpiperazin-1-yl)methyl]benzoic acid
SYSTEMATIC NAME: 2-[(4-methylpiperazin-1-yl)methyl]benzoic acid
MOLECULAR FORMULA: C13H18N2O2
MOLECULAR WEIGHT: 234.29422
SMILES: CN1CCN(CC1)CC2=CC=CC=C2C(=O)O
Structure:
CAS RN: 106261-49-8
CAS Name: 4-[(4-methyl-1-piperazinyl)methyl]benzoic acid
OPENEYE Name: 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
SYSTEMATIC NAME: 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
MOLECULAR FORMULA: C13H18N2O2
MOLECULAR WEIGHT: 234.29422
SMILES: CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)O
Structure:
CAS RN: 60516-11-2
CAS Name: N-[4-(4-nitroanilino)phenyl]acetamide
OPENEYE Name: N-[4-(4-nitroanilino)phenyl]acetamide
IUPAC Name: N-[4-(4-nitroanilino)phenyl]acetamide
SYSTEMATIC NAME: N-[4-[(4-nitrophenyl)amino]phenyl]ethanamide
MOLECULAR FORMULA: C14H13N3O3
MOLECULAR WEIGHT: 271.27132
SMILES: CC(=O)NC1=CC=C(C=C1)NC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 21743-68-0
CAS Name: 2-(5-phenyl-2-tetrazolyl)acetate
OPENEYE Name: 2-(5-phenyltetrazol-2-yl)acetate
IUPAC Name: 2-(5-phenyltetrazol-2-yl)acetate
SYSTEMATIC NAME: 2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoate
MOLECULAR FORMULA: C9H7N4O2-
MOLECULAR WEIGHT: 203.17748
SMILES: C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)[O-]
Structure:
CAS RN: 6309-87-1
CAS Name: 6-amino-4-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
OPENEYE Name: 6-amino-4-[3-[(4-chlorophenoxy)methyl]-4-methoxy-phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
IUPAC Name: 6-amino-4-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SYSTEMATIC NAME: 6-azanyl-4-[3-[(4-chloranylphenoxy)methyl]-4-methoxy-phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
MOLECULAR FORMULA: C22H19ClN4O3
MOLECULAR WEIGHT: 422.86426
SMILES: CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)COC4=CC=C(C=C4)Cl
Structure:
CAS RN: 438213-69-5
CAS Name: 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
OPENEYE Name: 6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid
IUPAC Name: 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
SYSTEMATIC NAME: 6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
MOLECULAR FORMULA: C10H12O2S
MOLECULAR WEIGHT: 196.26608
SMILES: CC1CCC2=C(C1)SC=C2C(=O)O
Structure:
CAS RN: 14422-49-2
CAS Name: 2-[(2-chloro-1-oxoethyl)amino]benzoate
OPENEYE Name: 2-[(2-chloroacetyl)amino]benzoate
IUPAC Name: 2-[(2-chloroacetyl)amino]benzoate
SYSTEMATIC NAME: 2-(2-chloranylethanoylamino)benzoate
MOLECULAR FORMULA: C9H7ClNO3-
MOLECULAR WEIGHT: 212.60978
SMILES: C1=CC=C(C(=C1)C(=O)[O-])NC(=O)CCl
Structure:
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