CAS RN: 1615-94-7
CAS Name: 3a,5a,8,8,11b,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,9,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
OPENEYE Name: 3-isopropyl-3a,5a,8,8,11b,13a-hexamethyl-1,2,3,4,5,5b,6,9,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
IUPAC Name: 3a,5a,8,8,11b,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,9,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
SYSTEMATIC NAME: 3a,5a,8,8,11b,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,9,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
MOLECULAR FORMULA: C30H50O
MOLECULAR WEIGHT: 426.7174
SMILES: CC(C)C1CCC2C1(CCC3(C2(CCC4(C3CC=C5C4CCC(C5(C)C)O)C)C)C)C
Structure:
CAS RN: 34658-66-7
CAS Name: 2-(4-bromophenyl)imidazo[1,2-a]pyridine
OPENEYE Name: 2-(4-bromophenyl)imidazo[1,2-a]pyridine
IUPAC Name: 2-(4-bromophenyl)imidazo[1,2-a]pyridine
SYSTEMATIC NAME: 2-(4-bromophenyl)imidazo[1,2-a]pyridine
MOLECULAR FORMULA: C13H9BrN2
MOLECULAR WEIGHT: 273.12796
SMILES: C1=CC2=NC(=CN2C=C1)C3=CC=C(C=C3)Br
Structure:
CAS RN: 57639-16-4
CAS Name: 5-bromo-3-phenyl-1H-indazole
OPENEYE Name: 5-bromo-3-phenyl-1H-indazole
IUPAC Name: 5-bromo-3-phenyl-1H-indazole
SYSTEMATIC NAME: 5-bromanyl-3-phenyl-1H-indazole
MOLECULAR FORMULA: C13H9BrN2
MOLECULAR WEIGHT: 273.12796
SMILES: C1=CC=C(C=C1)C2=NNC3=C2C=C(C=C3)Br
Structure:
CAS RN: 130187-53-0
CAS Name: 6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine
OPENEYE Name: 6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine
IUPAC Name: 6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine
SYSTEMATIC NAME: 6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine
MOLECULAR FORMULA: C17H12N4
MOLECULAR WEIGHT: 272.30398
SMILES: C1=CC=C(C=C1)C2=CC(=NN3C2=NN=C3)C4=CC=CC=C4
Structure:
CAS RN: 6051-88-3
CAS Name: 2-phenyl-4-benzo[g][1]benzopyranone
OPENEYE Name: 2-phenylbenzo[g]chromen-4-one
IUPAC Name: 2-phenylbenzo[g]chromen-4-one
SYSTEMATIC NAME: 2-phenylbenzo[g]chromen-4-one
MOLECULAR FORMULA: C19H12O2
MOLECULAR WEIGHT: 272.29738
SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=CC4=CC=CC=C4C=C3O2
Structure:
CAS RN: 5524-17-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H34O
MOLECULAR WEIGHT: 290.48336
SMILES: CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)(C)O)C)C
Structure:
CAS RN: 64415-11-8
CAS Name: 4,6-dichloro-2-(methylthio)-5-phenylpyrimidine
OPENEYE Name: 4,6-dichloro-2-methylsulfanyl-5-phenyl-pyrimidine
IUPAC Name: 4,6-dichloro-2-methylsulfanyl-5-phenylpyrimidine
SYSTEMATIC NAME: 4,6-bis(chloranyl)-2-methylsulfanyl-5-phenyl-pyrimidine
MOLECULAR FORMULA: C11H8Cl2N2S
MOLECULAR WEIGHT: 271.16562
SMILES: CSC1=NC(=C(C(=N1)Cl)C2=CC=CC=C2)Cl
Structure:
CAS RN: 721457-68-7
CAS Name: 1-(2-bromo-1-naphthalenyl)-2-naphthalenol
OPENEYE Name: 1-(2-bromo-1-naphthyl)naphthalen-2-ol
IUPAC Name: 1-(2-bromonaphthalen-1-yl)naphthalen-2-ol
SYSTEMATIC NAME: 1-(2-bromanylnaphthalen-1-yl)naphthalen-2-ol
MOLECULAR FORMULA: C20H13BrO
MOLECULAR WEIGHT: 349.22062
SMILES: C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)Br)O
Structure:
CAS RN: 478-95-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H16N2O2
MOLECULAR WEIGHT: 268.31044
SMILES: CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)C(=O)O
Structure:
CAS RN: 21279-77-6
CAS Name: 1-(3-chloropropyl)-4-(2-methoxyphenyl)piperazine
OPENEYE Name: 1-(3-chloropropyl)-4-(2-methoxyphenyl)piperazine
IUPAC Name: 1-(3-chloropropyl)-4-(2-methoxyphenyl)piperazine
SYSTEMATIC NAME: 1-(3-chloranylpropyl)-4-(2-methoxyphenyl)piperazine
MOLECULAR FORMULA: C14H21ClN2O
MOLECULAR WEIGHT: 268.78234
SMILES: COC1=CC=CC=C1N2CCN(CC2)CCCCl
Structure:
CAS RN: 70311-20-5
CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid ethyl ester
OPENEYE Name: ethyl 3-(3,4,5-trimethoxyphenyl)propanoate
IUPAC Name: ethyl 3-(3,4,5-trimethoxyphenyl)propanoate
SYSTEMATIC NAME: ethyl 3-(3,4,5-trimethoxyphenyl)propanoate
MOLECULAR FORMULA: C14H20O5
MOLECULAR WEIGHT: 268.3056
SMILES: CCOC(=O)CCC1=CC(=C(C(=C1)OC)OC)OC
Structure:
CAS RN: 303-48-0
CAS Name: 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methyl-1-propanamine
OPENEYE Name: 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methyl-propan-1-amine
IUPAC Name: 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine
SYSTEMATIC NAME: 3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methyl-propan-1-amine
MOLECULAR FORMULA: C18H21ClN2
MOLECULAR WEIGHT: 300.82574
SMILES: CNCCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl
Structure:
CAS RN: 33745-21-0
CAS Name: 6,6,9-trimethyl-3-propyl-1-benzo[c][1]benzopyranol
OPENEYE Name: 6,6,9-trimethyl-3-propyl-benzo[c]chromen-1-ol
IUPAC Name: 6,6,9-trimethyl-3-propylbenzo[c]chromen-1-ol
SYSTEMATIC NAME: 6,6,9-trimethyl-3-propyl-benzo[c]chromen-1-ol
MOLECULAR FORMULA: C19H22O2
MOLECULAR WEIGHT: 282.37678
SMILES: CCCC1=CC2=C(C(=C1)O)C3=C(C=CC(=C3)C)C(O2)(C)C
Structure:
CAS RN: 207233-99-6
CAS Name: 2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-3-pyrrolecarboxaldehyde
OPENEYE Name: 2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrole-3-carbaldehyde
IUPAC Name: 2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrole-3-carbaldehyde
SYSTEMATIC NAME: 2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrole-3-carbaldehyde
MOLECULAR FORMULA: C14H12F3NO
MOLECULAR WEIGHT: 267.24639
SMILES: CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)C=O
Structure:
CAS RN: 18110-86-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H10N2O3
MOLECULAR WEIGHT: 266.2515
SMILES: COC1=C2C3=C(C=CN2)C4=CC=CC=C4N3C(=O)C1=O
Structure:
CAS RN: 40738-83-8
CAS Name: 5-iodo-1,3-dimethylpyrimidine-2,4-dione
OPENEYE Name: 5-iodo-1,3-dimethyl-pyrimidine-2,4-dione
IUPAC Name: 5-iodo-1,3-dimethylpyrimidine-2,4-dione
SYSTEMATIC NAME: 5-iodanyl-1,3-dimethyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C6H7IN2O2
MOLECULAR WEIGHT: 266.03645
SMILES: CN1C=C(C(=O)N(C1=O)C)I
Structure:
CAS RN: 55609-63-7
CAS Name: 1-phenyl-3-(phenylmethyl)pyrrolidine-2,5-dione
OPENEYE Name: 3-benzyl-1-phenyl-pyrrolidine-2,5-dione
IUPAC Name: 3-benzyl-1-phenylpyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-phenyl-3-(phenylmethyl)pyrrolidine-2,5-dione
MOLECULAR FORMULA: C17H15NO2
MOLECULAR WEIGHT: 265.3065
SMILES: C1C(C(=O)N(C1=O)C2=CC=CC=C2)CC3=CC=CC=C3
Structure:
CAS RN: 56990-02-4
CAS Name: 3,5-dibromobenzaldehyde
OPENEYE Name: 3,5-dibromobenzaldehyde
IUPAC Name: 3,5-dibromobenzaldehyde
SYSTEMATIC NAME: 3,5-bis(bromanyl)benzaldehyde
MOLECULAR FORMULA: C7H4Br2O
MOLECULAR WEIGHT: 263.91406
SMILES: C1=C(C=C(C=C1Br)Br)C=O
Structure:
CAS RN: 110216-94-9
CAS Name: 4-methylbenzenesulfonic acid [1-methyl-2-oxo-3-(phenylmethyl)-4-quinolinyl] ester
OPENEYE Name: (3-benzyl-1-methyl-2-oxo-4-quinolyl) 4-methylbenzenesulfonate
IUPAC Name: (3-benzyl-1-methyl-2-oxoquinolin-4-yl) 4-methylbenzenesulfonate
SYSTEMATIC NAME: [1-methyl-2-oxidanylidene-3-(phenylmethyl)quinolin-4-yl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C24H21NO4S
MOLECULAR WEIGHT: 419.49284
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)N(C3=CC=CC=C32)C)CC4=CC=CC=C4
Structure:
CAS RN: 5271-44-3
CAS Name: 2-(4-bromoanilino)-1-cyclopentenecarbonitrile
OPENEYE Name: 2-(4-bromoanilino)cyclopentene-1-carbonitrile
IUPAC Name: 2-(4-bromoanilino)cyclopentene-1-carbonitrile
SYSTEMATIC NAME: 2-[(4-bromophenyl)amino]cyclopentene-1-carbonitrile
MOLECULAR FORMULA: C12H11BrN2
MOLECULAR WEIGHT: 263.13314
SMILES: C1CC(=C(C1)NC2=CC=C(C=C2)Br)C#N
Structure:
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