CAS RN: 18639-05-9
CAS Name: N-bis(2-pyridinylamino)phosphorylcarbamic acid ethyl ester
OPENEYE Name: ethyl N-bis(2-pyridylamino)phosphorylcarbamate
IUPAC Name: ethyl N-bis(pyridin-2-ylamino)phosphorylcarbamate
SYSTEMATIC NAME: ethyl N-bis(pyridin-2-ylamino)phosphorylcarbamate
MOLECULAR FORMULA: C13H16N5O3P
MOLECULAR WEIGHT: 321.271601
SMILES: CCOC(=O)NP(=O)(NC1=CC=CC=N1)NC2=CC=CC=N2
Structure:
CAS RN: 18639-03-7
CAS Name: N-bis(4-methylanilino)phosphorylcarbamic acid ethyl ester
OPENEYE Name: ethyl N-bis(4-methylanilino)phosphorylcarbamate
IUPAC Name: ethyl N-bis(4-methylanilino)phosphorylcarbamate
SYSTEMATIC NAME: ethyl N-bis[(4-methylphenyl)amino]phosphorylcarbamate
MOLECULAR FORMULA: C17H22N3O3P
MOLECULAR WEIGHT: 347.348641
SMILES: CCOC(=O)NP(=O)(NC1=CC=C(C=C1)C)NC2=CC=C(C=C2)C
Structure:
CAS RN: 16757-62-3
CAS Name: N-diphenoxyphosphorylhydroxylamine
OPENEYE Name: N-diphenoxyphosphorylhydroxylamine
IUPAC Name: N-diphenoxyphosphorylhydroxylamine
SYSTEMATIC NAME: N-diphenoxyphosphorylhydroxylamine
MOLECULAR FORMULA: C12H12NO4P
MOLECULAR WEIGHT: 265.201741
SMILES: C1=CC=C(C=C1)OP(=O)(NO)OC2=CC=CC=C2
Structure:
CAS RN: 464-82-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H34O4
MOLECULAR WEIGHT: 374.51366
SMILES: CC12CCC(CC1CCC3C2CCC4(C35CCC4C6CC(=O)OC6O5)C)O
Structure:
CAS RN: 3342-69-6
CAS Name: dichloro(dicyclohexyl)stannane
OPENEYE Name: dichloro(dicyclohexyl)stannane
IUPAC Name: dichloro(dicyclohexyl)stannane
SYSTEMATIC NAME: bis(chloranyl)-dicyclohexyl-stannane
MOLECULAR FORMULA: C12H22Cl2Sn
MOLECULAR WEIGHT: 355.91908
SMILES: C1CCC(CC1)[Sn](C2CCCCC2)(Cl)Cl
Structure:
CAS RN: 35356-62-8
CAS Name: 3,5-dimethyl-1-(methylthio)-[1,2,4]triazolo[4,3-a]quinolin-10-ium
OPENEYE Name: 3,5-dimethyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinolin-10-ium
IUPAC Name: 3,5-dimethyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinolin-10-ium
SYSTEMATIC NAME: 3,5-dimethyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinolin-10-ium
MOLECULAR FORMULA: C13H14N3S+
MOLECULAR WEIGHT: 244.33536
SMILES: CC1=CC2=[N+](C3=CC=CC=C13)C(=NN2C)SC
Structure:
CAS RN: 13350-57-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H2Cl9N
MOLECULAR WEIGHT: 443.19588
SMILES: C12(C3(C4(C1(C5(C2(C3(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)N
Structure:
CAS RN: 1659-88-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10HCl9O2
MOLECULAR WEIGHT: 472.19074
SMILES: C(=O)(C12C3(C4(C1(C5(C2(C3(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)O
Structure:
CAS RN: 34070-53-6
CAS Name: 3-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-8-ium-6-ol
OPENEYE Name: 3-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-8-ium-6-ol
IUPAC Name: 3-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-8-ium-6-ol
SYSTEMATIC NAME: 3-methyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-8-ium-6-ol
MOLECULAR FORMULA: C7H11N2O+
MOLECULAR WEIGHT: 139.17504
SMILES: CC1=CC=[N+]2N1CC(C2)O
Structure:
CAS RN: 33233-48-6
CAS Name: 6-bromo-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-4-ium-2-ol
OPENEYE Name: 6-bromo-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-4-ium-2-ol
IUPAC Name: 6-bromo-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-4-ium-2-ol
SYSTEMATIC NAME: 6-bromanyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-4-ium-2-ol
MOLECULAR FORMULA: C6H8BrN2O+
MOLECULAR WEIGHT: 204.04452
SMILES: C1C(C[N+]2=CC(=CN21)Br)O
Structure:
CAS RN: 83763-14-8
CAS Name: 2-(4-aminophenyl)-2-(3-methylphenyl)acetonitrile
OPENEYE Name: 2-(4-aminophenyl)-2-(m-tolyl)acetonitrile
IUPAC Name: 2-(4-aminophenyl)-2-(3-methylphenyl)acetonitrile
SYSTEMATIC NAME: 2-(4-aminophenyl)-2-(3-methylphenyl)ethanenitrile
MOLECULAR FORMULA: C15H14N2
MOLECULAR WEIGHT: 222.28506
SMILES: CC1=CC(=CC=C1)C(C#N)C2=CC=C(C=C2)N
Structure:
CAS RN: 19320-27-5
CAS Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]-6-methoxyphenol
OPENEYE Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyl]hexahydropyrimidin-2-yl]-6-methoxy-phenol
IUPAC Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]-6-methoxyphenol
SYSTEMATIC NAME: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyl]-1,3-diazinan-2-yl]-6-methoxy-phenol
MOLECULAR FORMULA: C35H46Cl4N4O2
MOLECULAR WEIGHT: 696.57734
SMILES: CC1=C(C=CC(=C1)N(CCCl)CCCl)CN2CCCN(C2C3=C(C(=CC=C3)OC)O)CC4=C(C=C(C=C4)N(CCCl)CCCl)C
Structure:
CAS RN: 32513-31-8
CAS Name: 1,2,6,7-tetraphenylcyclohepta-1,3,5-triene
OPENEYE Name: 1,2,6,7-tetraphenylcyclohepta-1,3,5-triene
IUPAC Name: 1,2,6,7-tetraphenylcyclohepta-1,3,5-triene
SYSTEMATIC NAME: 1,2,6,7-tetraphenylcyclohepta-1,3,5-triene
MOLECULAR FORMULA: C31H24
MOLECULAR WEIGHT: 396.52226
SMILES: C1=CC=C(C=C1)C2C(=CC=CC(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 16869-90-2
CAS Name: 4-methylbenzenesulfonic acid 2-[[2,4-dioxo-1,3-bis(triphenylmethyl)-5-pyrimidinyl]-(2-hydroxyethyl)amino]ethyl ester
OPENEYE Name: 2-[(2,4-dioxo-1,3-ditrityl-pyrimidin-5-yl)-(2-hydroxyethyl)amino]ethyl 4-methylbenzenesulfonate
IUPAC Name: 2-[(2,4-dioxo-1,3-ditritylpyrimidin-5-yl)-(2-hydroxyethyl)amino]ethyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: 2-[[2,4-bis(oxidanylidene)-1,3-bis(triphenylmethyl)pyrimidin-5-yl]-(2-hydroxyethyl)amino]ethyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C53H47N3O6S
MOLECULAR WEIGHT: 854.02178
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCN(CCO)C2=CN(C(=O)N(C2=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8
Structure:
CAS RN: 18677-88-8
CAS Name: methanesulfonic acid 2-[[2,4-dioxo-1,3-bis(triphenylmethyl)-5-pyrimidinyl]-(2-hydroxyethyl)amino]ethyl ester
OPENEYE Name: 2-[(2,4-dioxo-1,3-ditrityl-pyrimidin-5-yl)-(2-hydroxyethyl)amino]ethyl methanesulfonate
IUPAC Name: 2-[(2,4-dioxo-1,3-ditritylpyrimidin-5-yl)-(2-hydroxyethyl)amino]ethyl methanesulfonate
SYSTEMATIC NAME: 2-[[2,4-bis(oxidanylidene)-1,3-bis(triphenylmethyl)pyrimidin-5-yl]-(2-hydroxyethyl)amino]ethyl methanesulfonate
MOLECULAR FORMULA: C47H43N3O6S
MOLECULAR WEIGHT: 777.92582
SMILES: CS(=O)(=O)OCCN(CCO)C1=CN(C(=O)N(C1=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7
Structure:
CAS RN: 33043-49-1
CAS Name: 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-hydroxyphenyl]propanoic acid hexyl ester
OPENEYE Name: hexyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-hydroxy-phenyl]propanoate
IUPAC Name: hexyl 2-amino-3-[3-[bis(2-chloroethyl)amino]-4-hydroxyphenyl]propanoate
SYSTEMATIC NAME: hexyl 2-azanyl-3-[3-[bis(2-chloroethyl)amino]-4-oxidanyl-phenyl]propanoate
MOLECULAR FORMULA: C19H30Cl2N2O3
MOLECULAR WEIGHT: 405.3591
SMILES: CCCCCCOC(=O)C(CC1=CC(=C(C=C1)O)N(CCCl)CCCl)N
Structure:
CAS RN: 17415-02-0
CAS Name: 2-amino-5-(3-aminopropyl)-6-phenyl-1H-pyrimidin-4-one
OPENEYE Name: 2-amino-5-(3-aminopropyl)-6-phenyl-1H-pyrimidin-4-one
IUPAC Name: 2-amino-5-(3-aminopropyl)-6-phenyl-1H-pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-5-(3-azanylpropyl)-6-phenyl-1H-pyrimidin-4-one
MOLECULAR FORMULA: C13H16N4O
MOLECULAR WEIGHT: 244.29234
SMILES: C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N)CCCN
Structure:
CAS RN: 73926-87-1
CAS Name: [2-[(3-bromo-1-oxopropyl)amino]cyclohexyl]-chloromercury
OPENEYE Name: [2-(3-bromopropanoylamino)cyclohexyl]-chloro-mercury
IUPAC Name: [2-(3-bromopropanoylamino)cyclohexyl]-chloromercury
SYSTEMATIC NAME: [2-(3-bromanylpropanoylamino)cyclohexyl]-chloranyl-mercury
MOLECULAR FORMULA: C9H15BrClHgNO
MOLECULAR WEIGHT: 469.1685
SMILES: C1CCC(C(C1)NC(=O)CCBr)[Hg]Cl
Structure:
CAS RN: 24549-16-4
CAS Name: chloro-[2-[(1-oxo-2-phenylethyl)amino]cyclohexyl]mercury
OPENEYE Name: chloro-[2-[(2-phenylacetyl)amino]cyclohexyl]mercury
IUPAC Name: chloro-[2-[(2-phenylacetyl)amino]cyclohexyl]mercury
SYSTEMATIC NAME: chloranyl-[2-(2-phenylethanoylamino)cyclohexyl]mercury
MOLECULAR FORMULA: C14H18ClHgNO
MOLECULAR WEIGHT: 452.34182
SMILES: C1CCC(C(C1)NC(=O)CC2=CC=CC=C2)[Hg]Cl
Structure:
CAS RN: 73926-88-2
CAS Name: chloro-[2-(1-oxohexylamino)cyclohexyl]mercury
OPENEYE Name: chloro-[2-(hexanoylamino)cyclohexyl]mercury
IUPAC Name: chloro-[2-(hexanoylamino)cyclohexyl]mercury
SYSTEMATIC NAME: chloranyl-[2-(hexanoylamino)cyclohexyl]mercury
MOLECULAR FORMULA: C12H22ClHgNO
MOLECULAR WEIGHT: 432.35218
SMILES: CCCCCC(=O)NC1CCCCC1[Hg]Cl
Structure:
CAS RN: 41052-75-9
CAS Name: (2-chlorophenyl)hydrazine
OPENEYE Name: (2-chlorophenyl)hydrazine
IUPAC Name: (2-chlorophenyl)hydrazine
SYSTEMATIC NAME: (2-chlorophenyl)diazane
MOLECULAR FORMULA: C6H7ClN2
MOLECULAR WEIGHT: 142.58618
SMILES: C1=CC=C(C(=C1)NN)Cl
Structure:
CAS RN: 10126-22-4
CAS Name: [2-[(dimethylamino)methyl]-5-methylphenyl]-diphenylmethanol
OPENEYE Name: [2-[(dimethylamino)methyl]-5-methyl-phenyl]-diphenyl-methanol
IUPAC Name: [2-[(dimethylamino)methyl]-5-methylphenyl]-diphenylmethanol
SYSTEMATIC NAME: [2-[(dimethylamino)methyl]-5-methyl-phenyl]-diphenyl-methanol
MOLECULAR FORMULA: C23H25NO
MOLECULAR WEIGHT: 331.4507
SMILES: CC1=CC(=C(C=C1)CN(C)C)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
Structure:
CAS RN: 72216-57-0
CAS Name: 4-phenyl-1-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-benzyl-4-phenyl-piperidine-4-carboxylate
IUPAC Name: ethyl 1-benzyl-4-phenylpiperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 4-phenyl-1-(phenylmethyl)piperidine-4-carboxylate
MOLECULAR FORMULA: C21H25NO2
MOLECULAR WEIGHT: 323.4287
SMILES: CCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 16853-07-9
CAS Name: 4-(phenylmethyl)-1,2,3,5,6,7-hexahydropyrrolizin-4-ium-8-ol
OPENEYE Name: 4-benzyl-1,2,3,5,6,7-hexahydropyrrolizin-4-ium-8-ol
IUPAC Name: 4-benzyl-1,2,3,5,6,7-hexahydropyrrolizin-4-ium-8-ol
SYSTEMATIC NAME: 4-(phenylmethyl)-1,2,3,5,6,7-hexahydropyrrolizin-4-ium-8-ol
MOLECULAR FORMULA: C14H20NO+
MOLECULAR WEIGHT: 218.3147
SMILES: C1CC2(CCC[N+]2(C1)CC3=CC=CC=C3)O
Structure:
CAS RN: 28859-82-7
CAS Name: bromo(2-methylpropyl)mercury
OPENEYE Name: bromo(isobutyl)mercury
IUPAC Name: bromo(2-methylpropyl)mercury
SYSTEMATIC NAME: bromanyl(2-methylpropyl)mercury
MOLECULAR FORMULA: C4H9BrHg
MOLECULAR WEIGHT: 337.60826
SMILES: CC(C)C[Hg]Br
Structure:
CAS RN: 94213-55-5
CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2,3-dihydroisoquinoline
OPENEYE Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2,3-dihydroisoquinoline
IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2,3-dihydroisoquinoline
SYSTEMATIC NAME: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2,3-dihydroisoquinoline
MOLECULAR FORMULA: C20H23NO4
MOLECULAR WEIGHT: 341.40092
SMILES: COC1=C(C=C(C=C1)CC2=C3C=C(C(=CC3=CCN2)OC)OC)OC
Structure:
CAS RN: 19320-26-4
CAS Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enylphenol
OPENEYE Name: 2-allyl-6-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyl]hexahydropyrimidin-2-yl]phenol
IUPAC Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enylphenol
SYSTEMATIC NAME: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyl]-1,3-diazinan-2-yl]-6-prop-2-enyl-phenol
MOLECULAR FORMULA: C37H48Cl4N4O
MOLECULAR WEIGHT: 706.61522
SMILES: CC1=C(C=CC(=C1)N(CCCl)CCCl)CN2CCCN(C2C3=C(C(=CC=C3)CC=C)O)CC4=C(C=C(C=C4)N(CCCl)CCCl)C
Structure:
CAS RN: 17958-62-2
CAS Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4,6-dichlorophenol
OPENEYE Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]hexahydropyrimidin-2-yl]-4,6-dichloro-phenol
IUPAC Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4,6-dichlorophenol
SYSTEMATIC NAME: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-4,6-bis(chloranyl)phenol
MOLECULAR FORMULA: C32H38Cl6N4O
MOLECULAR WEIGHT: 707.38832
SMILES: C1CN(C(N(C1)CC2=CC=C(C=C2)N(CCCl)CCCl)C3=CC(=CC(=C3O)Cl)Cl)CC4=CC=C(C=C4)N(CCCl)CCCl
Structure:
CAS RN: 81125-67-9
CAS Name: 4-[[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
OPENEYE Name: 4-[[17-(4-ethyl-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxo-butanoic acid
IUPAC Name: 4-[[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[17-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C33H54O4
MOLECULAR WEIGHT: 514.77946
SMILES: CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C)C(C)C
Structure:
CAS RN: 85847-64-9
CAS Name: (2-methylphenyl)-[8-[(2-methylphenyl)-oxomethyl]-1-naphthalenyl]methanone
OPENEYE Name: [8-(2-methylbenzoyl)-1-naphthyl]-(o-tolyl)methanone
IUPAC Name: [8-(2-methylbenzoyl)naphthalen-1-yl]-(2-methylphenyl)methanone
SYSTEMATIC NAME: (2-methylphenyl)-[8-(2-methylphenyl)carbonylnaphthalen-1-yl]methanone
MOLECULAR FORMULA: C26H20O2
MOLECULAR WEIGHT: 364.4358
SMILES: CC1=CC=CC=C1C(=O)C2=CC=CC3=C2C(=CC=C3)C(=O)C4=CC=CC=C4C
Structure:
CAS RN: 7617-76-7
CAS Name: 3-phenoxy-1-propanamine
OPENEYE Name: 3-phenoxypropan-1-amine
IUPAC Name: 3-phenoxypropan-1-amine
SYSTEMATIC NAME: 3-phenoxypropan-1-amine
MOLECULAR FORMULA: C9H13NO
MOLECULAR WEIGHT: 151.20562
SMILES: C1=CC=C(C=C1)OCCCN
Structure:
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