CAS RN: 92447-12-6
CAS Name: 1-[(3-bromophenyl)methyl]-4-methylpiperazine
OPENEYE Name: 1-[(3-bromophenyl)methyl]-4-methyl-piperazine
IUPAC Name: 1-[(3-bromophenyl)methyl]-4-methylpiperazine
SYSTEMATIC NAME: 1-[(3-bromophenyl)methyl]-4-methyl-piperazine
MOLECULAR FORMULA: C12H17BrN2
MOLECULAR WEIGHT: 269.18078
SMILES: CN1CCN(CC1)CC2=CC(=CC=C2)Br
Structure:
CAS RN: 57808-78-3
CAS Name: (Z)-2-cyano-3-(4-methoxyphenyl)-N-phenyl-2-propenamide
OPENEYE Name: (Z)-2-cyano-3-(4-methoxyphenyl)-N-phenyl-prop-2-enamide
IUPAC Name: (Z)-2-cyano-3-(4-methoxyphenyl)-N-phenylprop-2-enamide
SYSTEMATIC NAME: (Z)-2-cyano-3-(4-methoxyphenyl)-N-phenyl-prop-2-enamide
MOLECULAR FORMULA: C17H14N2O2
MOLECULAR WEIGHT: 278.30526
SMILES: COC1=CC=C(C=C1)/C=C(/C#N)\C(=O)NC2=CC=CC=C2
Structure:
CAS RN: 67846-18-8
CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-phenylpiperazine
OPENEYE Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-piperazine
IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-phenylpiperazine
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-piperazine
MOLECULAR FORMULA: C18H20N2O2
MOLECULAR WEIGHT: 296.3636
SMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4
Structure:
CAS RN: 320740-71-4
CAS Name: 2-amino-N-[(2R)-butan-2-yl]-1,3-benzothiazole-6-carboxamide
OPENEYE Name: 2-amino-N-[(1R)-1-methylpropyl]-1,3-benzothiazole-6-carboxamide
IUPAC Name: 2-amino-N-[(2R)-butan-2-yl]-1,3-benzothiazole-6-carboxamide
SYSTEMATIC NAME: 2-azanyl-N-[(2R)-butan-2-yl]-1,3-benzothiazole-6-carboxamide
MOLECULAR FORMULA: C12H15N3OS
MOLECULAR WEIGHT: 249.332
SMILES: CC[C@@H](C)NC(=O)C1=CC2=C(C=C1)N=C(S2)N
Structure:
CAS RN: 60484-67-5
CAS Name: N-(3,5-dimethylphenyl)-2-thiophenesulfonamide
OPENEYE Name: N-(3,5-dimethylphenyl)thiophene-2-sulfonamide
IUPAC Name: N-(3,5-dimethylphenyl)thiophene-2-sulfonamide
SYSTEMATIC NAME: N-(3,5-dimethylphenyl)thiophene-2-sulfonamide
MOLECULAR FORMULA: C12H13NO2S2
MOLECULAR WEIGHT: 267.36712
SMILES: CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CS2)C
Structure:
CAS RN: 320740-71-4
CAS Name: 2-amino-N-[(2S)-butan-2-yl]-1,3-benzothiazole-6-carboxamide
OPENEYE Name: 2-amino-N-[(1S)-1-methylpropyl]-1,3-benzothiazole-6-carboxamide
IUPAC Name: 2-amino-N-[(2S)-butan-2-yl]-1,3-benzothiazole-6-carboxamide
SYSTEMATIC NAME: 2-azanyl-N-[(2S)-butan-2-yl]-1,3-benzothiazole-6-carboxamide
MOLECULAR FORMULA: C12H15N3OS
MOLECULAR WEIGHT: 249.332
SMILES: CC[C@H](C)NC(=O)C1=CC2=C(C=C1)N=C(S2)N
Structure:
CAS RN: 4113-04-6
CAS Name: 6-quinolinecarboxaldehyde
OPENEYE Name: quinoline-6-carbaldehyde
IUPAC Name: quinoline-6-carbaldehyde
SYSTEMATIC NAME: quinoline-6-carbaldehyde
MOLECULAR FORMULA: C10H7NO
MOLECULAR WEIGHT: 157.16868
SMILES: C1=CC2=C(C=CC(=C2)C=O)N=C1
Structure:
CAS RN: 104091-08-9
CAS Name: 6-quinolinecarboxaldehyde
OPENEYE Name: quinoline-6-carbaldehyde
IUPAC Name: quinoline-6-carbaldehyde
SYSTEMATIC NAME: quinoline-6-carbaldehyde
MOLECULAR FORMULA: C10H7NO
MOLECULAR WEIGHT: 157.16868
SMILES: C1=CC2=C(C=CC(=C2)C=O)N=C1
Structure:
CAS RN: 5270-99-5
CAS Name: N-(5-phenyl-2-thiazolyl)propanamide
OPENEYE Name: N-(5-phenylthiazol-2-yl)propanamide
IUPAC Name: N-(5-phenyl-1,3-thiazol-2-yl)propanamide
SYSTEMATIC NAME: N-(5-phenyl-1,3-thiazol-2-yl)propanamide
MOLECULAR FORMULA: C12H12N2OS
MOLECULAR WEIGHT: 232.30148
SMILES: CCC(=O)NC1=NC=C(S1)C2=CC=CC=C2
Structure:
CAS RN: 5266-53-5
CAS Name: 1-(3-chlorophenyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazine
OPENEYE Name: 1-(3-chlorophenyl)-4-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperazine
IUPAC Name: 1-(3-chlorophenyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazine
SYSTEMATIC NAME: 1-(3-chlorophenyl)-4-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperazine
MOLECULAR FORMULA: C20H25ClN2O
MOLECULAR WEIGHT: 344.8783
SMILES: CC1=CC(=C(C=C1CN2CCN(CC2)C3=CC(=CC=C3)Cl)C)OC
Structure:
CAS RN: 23283-69-4
CAS Name: 1-[(3-chlorophenyl)methyl]piperazine
OPENEYE Name: 1-[(3-chlorophenyl)methyl]piperazine
IUPAC Name: 1-[(3-chlorophenyl)methyl]piperazine
SYSTEMATIC NAME: 1-[(3-chlorophenyl)methyl]piperazine
MOLECULAR FORMULA: C11H15ClN2
MOLECULAR WEIGHT: 210.7032
SMILES: C1CN(CCN1)CC2=CC(=CC=C2)Cl
Structure:
CAS RN: 23328-11-2
CAS Name: 1-[(4-methylphenyl)methyl]piperazine
OPENEYE Name: 1-(p-tolylmethyl)piperazine
IUPAC Name: 1-[(4-methylphenyl)methyl]piperazine
SYSTEMATIC NAME: 1-[(4-methylphenyl)methyl]piperazine
MOLECULAR FORMULA: C12H18N2
MOLECULAR WEIGHT: 190.28472
SMILES: CC1=CC=C(C=C1)CN2CCNCC2
Structure:
CAS RN: 59037-70-6
CAS Name: 1-(2-furanylmethyl)piperazine
OPENEYE Name: 1-(2-furylmethyl)piperazine
IUPAC Name: 1-(furan-2-ylmethyl)piperazine
SYSTEMATIC NAME: 1-(furan-2-ylmethyl)piperazine
MOLECULAR FORMULA: C9H14N2O
MOLECULAR WEIGHT: 166.22026
SMILES: C1CN(CCN1)CC2=CC=CO2
Structure:
CAS RN: 9037-49-4
CAS Name: 1-[(2-nitrophenyl)methyl]piperazine
OPENEYE Name: 1-[(2-nitrophenyl)methyl]piperazine
IUPAC Name: 1-[(2-nitrophenyl)methyl]piperazine
SYSTEMATIC NAME: 1-[(2-nitrophenyl)methyl]piperazine
MOLECULAR FORMULA: C11H15N3O2
MOLECULAR WEIGHT: 221.2557
SMILES: C1CN(CCN1)CC2=CC=CC=C2[N+](=O)[O-]
Structure:
CAS RN: 298705-59-6
CAS Name: 1-[(2-bromophenyl)methyl]piperazine
OPENEYE Name: 1-[(2-bromophenyl)methyl]piperazine
IUPAC Name: 1-[(2-bromophenyl)methyl]piperazine
SYSTEMATIC NAME: 1-[(2-bromophenyl)methyl]piperazine
MOLECULAR FORMULA: C11H15BrN2
MOLECULAR WEIGHT: 255.1542
SMILES: C1CN(CCN1)CC2=CC=CC=C2Br
Structure:
CAS RN: 73108-81-3
CAS Name: (E)-N-(3-chloro-2-methylphenyl)-3-phenyl-2-propenamide
OPENEYE Name: (E)-N-(3-chloro-2-methyl-phenyl)-3-phenyl-prop-2-enamide
IUPAC Name: (E)-N-(3-chloro-2-methylphenyl)-3-phenylprop-2-enamide
SYSTEMATIC NAME: (E)-N-(3-chloranyl-2-methyl-phenyl)-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C16H14ClNO
MOLECULAR WEIGHT: 271.74146
SMILES: CC1=C(C=CC=C1Cl)NC(=O)/C=C/C2=CC=CC=C2
Structure:
CAS RN: 5735-20-6
CAS Name: 3-(3-methyl-2-nitrophenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-(3-methyl-2-nitro-phenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-(3-methyl-2-nitrophenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-(3-methyl-2-nitro-phenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C15H12N4O2S
MOLECULAR WEIGHT: 312.34638
SMILES: CC1=CC=CC(=C1[N+](=O)[O-])C2=NNC(=S)N2C3=CC=CC=C3
Structure:
CAS RN: 166964-37-0
CAS Name: 4-(4-methylphenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-(p-tolyl)-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-(4-methylphenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-(4-methylphenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C14H12N4S
MOLECULAR WEIGHT: 268.33688
SMILES: CC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=NC=C3
Structure:
CAS RN: 5992-54-1
CAS Name: 2-(3-chlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
OPENEYE Name: 2-(3-chlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
IUPAC Name: 2-(3-chlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SYSTEMATIC NAME: 2-(3-chlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
MOLECULAR FORMULA: C13H10ClN3O
MOLECULAR WEIGHT: 259.691
SMILES: CC1=CC(=O)N2C(=N1)C=C(N2)C3=CC(=CC=C3)Cl
Structure:
CAS RN: 12032-36-9
CAS Name: 2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
OPENEYE Name: 1-benzyloxy-2-methoxy-4-[(E)-prop-1-enyl]benzene
IUPAC Name: 2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
SYSTEMATIC NAME: 2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
MOLECULAR FORMULA: C17H18O2
MOLECULAR WEIGHT: 254.32362
SMILES: C/C=C/C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC
Structure:
CAS RN: 120-11-6
CAS Name: 2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
OPENEYE Name: 1-benzyloxy-2-methoxy-4-[(E)-prop-1-enyl]benzene
IUPAC Name: 2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
SYSTEMATIC NAME: 2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
MOLECULAR FORMULA: C17H18O2
MOLECULAR WEIGHT: 254.32362
SMILES: C/C=C/C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC
Structure:
CAS RN: 130345-50-5
CAS Name: 6-quinoxalinecarboxaldehyde
OPENEYE Name: quinoxaline-6-carbaldehyde
IUPAC Name: quinoxaline-6-carbaldehyde
SYSTEMATIC NAME: quinoxaline-6-carbaldehyde
MOLECULAR FORMULA: C9H6N2O
MOLECULAR WEIGHT: 158.15674
SMILES: C1=CC2=NC=CN=C2C=C1C=O
Structure:
CAS RN: 5302-05-6
CAS Name: 1-(4-chlorophenyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazine
OPENEYE Name: 1-(4-chlorophenyl)-4-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperazine
IUPAC Name: 1-(4-chlorophenyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazine
SYSTEMATIC NAME: 1-(4-chlorophenyl)-4-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperazine
MOLECULAR FORMULA: C20H25ClN2O
MOLECULAR WEIGHT: 344.8783
SMILES: CC1=CC(=C(C=C1CN2CCN(CC2)C3=CC=C(C=C3)Cl)C)OC
Structure:
CAS RN: 52899-80-6
CAS Name: 1-[(2,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine
OPENEYE Name: 1-[(2,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine
IUPAC Name: 1-[(2,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine
SYSTEMATIC NAME: 1-[(2,4-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine
MOLECULAR FORMULA: C19H23FN2
MOLECULAR WEIGHT: 298.397723
SMILES: CC1=CC(=C(C=C1)CN2CCN(CC2)C3=CC=C(C=C3)F)C
Structure:
CAS RN: 240121-97-5
CAS Name: 2-(5-formyl-2-furanyl)benzoic acid methyl ester
OPENEYE Name: methyl 2-(5-formyl-2-furyl)benzoate
IUPAC Name: methyl 2-(5-formylfuran-2-yl)benzoate
SYSTEMATIC NAME: methyl 2-(5-methanoylfuran-2-yl)benzoate
MOLECULAR FORMULA: C13H10O4
MOLECULAR WEIGHT: 230.2161
SMILES: COC(=O)C1=CC=CC=C1C2=CC=C(O2)C=O
Structure:
CAS RN: 58774-39-3
CAS Name: 1-(4-ethoxyphenyl)-N-(1-methyl-5-benzimidazolyl)methanimine
OPENEYE Name: 1-(4-ethoxyphenyl)-N-(1-methylbenzimidazol-5-yl)methanimine
IUPAC Name: 1-(4-ethoxyphenyl)-N-(1-methylbenzimidazol-5-yl)methanimine
SYSTEMATIC NAME: 1-(4-ethoxyphenyl)-N-(1-methylbenzimidazol-5-yl)methanimine
MOLECULAR FORMULA: C17H17N3O
MOLECULAR WEIGHT: 279.33638
SMILES: CCOC1=CC=C(C=C1)C=NC2=CC3=C(C=C2)N(C=N3)C
Structure:
CAS RN: 337925-63-0
CAS Name: N-[(4-ethoxyphenyl)methyl]-1-methyl-5-benzimidazolamine
OPENEYE Name: N-[(4-ethoxyphenyl)methyl]-1-methyl-benzimidazol-5-amine
IUPAC Name: N-[(4-ethoxyphenyl)methyl]-1-methylbenzimidazol-5-amine
SYSTEMATIC NAME: N-[(4-ethoxyphenyl)methyl]-1-methyl-benzimidazol-5-amine
MOLECULAR FORMULA: C17H19N3O
MOLECULAR WEIGHT: 281.35226
SMILES: CCOC1=CC=C(C=C1)CNC2=CC3=C(C=C2)N(C=N3)C
Structure:
CAS RN: 3253-51-8
CAS Name: 4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinoline
OPENEYE Name: 4-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]quinoline
IUPAC Name: 4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinoline
SYSTEMATIC NAME: 4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinoline
MOLECULAR FORMULA: C18H13NO2
MOLECULAR WEIGHT: 275.30132
SMILES: C1OC2=C(O1)C=C(C=C2)/C=C/C3=CC=NC4=CC=CC=C34
Structure:
CAS RN: 60834-63-1
CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]-4-hydroxybenzoic acid
OPENEYE Name: 2-[(3-bromobenzoyl)amino]-4-hydroxy-benzoic acid
IUPAC Name: 2-[(3-bromobenzoyl)amino]-4-hydroxybenzoic acid
SYSTEMATIC NAME: 2-[(3-bromophenyl)carbonylamino]-4-oxidanyl-benzoic acid
MOLECULAR FORMULA: C14H10BrNO4
MOLECULAR WEIGHT: 336.1375
SMILES: C1=CC(=CC(=C1)Br)C(=O)NC2=C(C=CC(=C2)O)C(=O)O
Structure:
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