Saturday, February 25, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]methyl]benzenesulfonamide
CAS Name: N-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-1,3-dioxan-2-yl]phenyl]methyl]benzenesulfonamide
IUPAC NAME: N-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]methyl]benzenesulfonamide
SYSTEMATIC NAME: N-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]methyl]benzenesulfonamide
MOLECULAR FORMULA: C36H40N4O7S
MOLECULAR WEIGHT: 672.7904
SMILES: CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNS(=O)(=O)C4=CC=CC=C4)CN5CCN(CC5)C6=CC=C(C=C6)[N+](=O)[O-]
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Product OPENEYE NAME: [2-[[3-[3-[4-[(dioctylamino)methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-1-methyl-2-oxo-ethyl] acetate
CAS Name: acetic acid [1-[[3-[3-[4-[(dioctylamino)methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-1-oxopropan-2-yl] ester
IUPAC NAME: [1-[[3-[3-[4-[(dioctylamino)methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-1-oxopropan-2-yl] acetate
SYSTEMATIC NAME: [1-[[3-[3-[4-[(dioctylamino)methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-1-oxidanylidene-propan-2-yl] ethanoate
MOLECULAR FORMULA: C47H68N2O6
MOLECULAR WEIGHT: 757.05262
SMILES: CCCCCCCCN(CCCCCCCC)CC1C(C(OC(O1)C2=CC=CC(=C2)C3=CC(=CC=C3)CNC(=O)C(C)OC(=O)C)C4=CC=C(C=C4)CO)C
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Product OPENEYE NAME: 5-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-5-oxo-pentanoic acid
CAS Name: 5-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxy-1-pyrrolidinyl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-5-oxopentanoic acid
IUPAC NAME: 5-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-5-oxopentanoic acid
SYSTEMATIC NAME: 5-[[3-[4-[4-[4-(hydroxymethyl)phenyl]-6-[(3-oxidanylpyrrolidin-1-yl)methyl]-1,3-dioxan-2-yl]phenyl]phenyl]methylamino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C34H40N2O7
MOLECULAR WEIGHT: 588.6906
SMILES: C1CN(CC1O)CC2CC(OC(O2)C3=CC=C(C=C3)C4=CC(=CC=C4)CNC(=O)CCCC(=O)O)C5=CC=C(C=C5)CO
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Product OPENEYE NAME: ethyl 5-[(4-ethoxy-4-oxo-butanoyl)amino]-3-(4-fluorophenyl)-4-oxo-thieno[3,4-d]pyridazine-1-carboxylate
CAS Name: 5-[(4-ethoxy-1,4-dioxobutyl)amino]-3-(4-fluorophenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-[(4-ethoxy-4-oxobutanoyl)amino]-3-(4-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
SYSTEMATIC NAME: ethyl 5-[(4-ethoxy-4-oxidanylidene-butanoyl)amino]-3-(4-fluorophenyl)-4-oxidanylidene-thieno[3,4-d]pyridazine-1-carboxylate
MOLECULAR FORMULA: C21H20FN3O6S
MOLECULAR WEIGHT: 461.463403
SMILES: CCOC(=O)CCC(=O)NC1=C2C(=CS1)C(=NN(C2=O)C3=CC=C(C=C3)F)C(=O)OCC
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Product OPENEYE NAME: 4-chloro-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]-N-(p-tolyl)benzamide
CAS Name: 4-chloro-N-(4-methylphenyl)-3-nitro-N-[(2-oxo-1-pyrrolidinyl)methyl]benzamide
IUPAC NAME: 4-chloro-N-(4-methylphenyl)-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SYSTEMATIC NAME: 4-chloranyl-N-(4-methylphenyl)-3-nitro-N-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzamide
MOLECULAR FORMULA: C19H18ClN3O4
MOLECULAR WEIGHT: 387.81692
SMILES: CC1=CC=C(C=C1)N(CN2CCCC2=O)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: 1-[(4-oxo-2,6-diphenyl-1,4$l^{5}-oxaphosphinin-4-yl)amino]butan-2-ol
CAS Name: 1-[(4-oxo-2,6-diphenyl-1,4$l^{5}-oxaphosphorin-4-yl)amino]-2-butanol
IUPAC NAME: 1-[(4-oxo-2,6-diphenyl-1,4$l^{5}-oxaphosphinin-4-yl)amino]butan-2-ol
SYSTEMATIC NAME: 1-[(4-oxidanylidene-2,6-diphenyl-1,4$l^{5}-oxaphosphinin-4-yl)amino]butan-2-ol
MOLECULAR FORMULA: C20H22NO3P
MOLECULAR WEIGHT: 355.367341
SMILES: CCC(CNP1(=O)C=C(OC(=C1)C2=CC=CC=C2)C3=CC=CC=C3)O
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Product OPENEYE NAME: N-bis(2-chloro-2-phenyl-vinyl)phosphoryl-1,3,4-thiadiazol-2-amine
CAS Name: N-bis(2-chloro-2-phenylethenyl)phosphoryl-1,3,4-thiadiazol-2-amine
IUPAC NAME: N-bis(2-chloro-2-phenylethenyl)phosphoryl-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: N-bis(2-chloranyl-2-phenyl-ethenyl)phosphoryl-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C18H14Cl2N3OPS
MOLECULAR WEIGHT: 422.268021
SMILES: C1=CC=C(C=C1)C(=CP(=O)(C=C(C2=CC=CC=C2)Cl)NC3=NN=CS3)Cl
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Product OPENEYE NAME: N-bis(benzylamino)phosphoryl-1-methyl-pyrrole-2-carboxamide
CAS Name: N-bis[(phenylmethyl)amino]phosphoryl-1-methyl-2-pyrrolecarboxamide
IUPAC NAME: N-bis(benzylamino)phosphoryl-1-methylpyrrole-2-carboxamide
SYSTEMATIC NAME: N-bis[(phenylmethyl)amino]phosphoryl-1-methyl-pyrrole-2-carboxamide
MOLECULAR FORMULA: C20H23N4O2P
MOLECULAR WEIGHT: 382.395981
SMILES: CN1C=CC=C1C(=O)NP(=O)(NCC2=CC=CC=C2)NCC3=CC=CC=C3
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H26N2O4S
MOLECULAR WEIGHT: 486.58204
SMILES: CCN(CC)S(=O)(=O)C1=CC=CC(=C1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
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