CAS RN: 4618-99-9
CAS Name: N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
OPENEYE Name: N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide
IUPAC Name: N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
SYSTEMATIC NAME: N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide
MOLECULAR FORMULA: C11H14N2O5
MOLECULAR WEIGHT: 254.23926
SMILES: CC(=O)N[C@H](CO)[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O
Structure:
CAS RN: 22280-62-2
CAS Name: 6-methyl-5-nitro-2-pyridinamine
OPENEYE Name: 6-methyl-5-nitro-pyridin-2-amine
IUPAC Name: 6-methyl-5-nitropyridin-2-amine
SYSTEMATIC NAME: 6-methyl-5-nitro-pyridin-2-amine
MOLECULAR FORMULA: C6H7N3O2
MOLECULAR WEIGHT: 153.13868
SMILES: CC1=C(C=CC(=N1)N)[N+](=O)[O-]
Structure:
CAS RN: 387-79-1
CAS Name: 1-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)ethanone
OPENEYE Name: 1-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)ethanone
IUPAC Name: 1-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)ethanone
SYSTEMATIC NAME: 1-[10,13-dimethyl-3,17-bis(oxidanyl)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
MOLECULAR FORMULA: C21H32O3
MOLECULAR WEIGHT: 332.47698
SMILES: CC(=O)C1(CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O
Structure:
CAS RN: 7597-82-2
CAS Name: 1,2-dimethyl-4,4-diphenylpyrrolidine
OPENEYE Name: 1,2-dimethyl-4,4-diphenyl-pyrrolidine
IUPAC Name: 1,2-dimethyl-4,4-diphenylpyrrolidine
SYSTEMATIC NAME: 1,2-dimethyl-4,4-diphenyl-pyrrolidine
MOLECULAR FORMULA: C18H21N
MOLECULAR WEIGHT: 251.36604
SMILES: CC1CC(CN1C)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 7297-86-1
CAS Name: 4,4-bis(4-hydroxyphenyl)pentanoic acid ethyl ester
OPENEYE Name: ethyl 4,4-bis(4-hydroxyphenyl)pentanoate
IUPAC Name: ethyl 4,4-bis(4-hydroxyphenyl)pentanoate
SYSTEMATIC NAME: ethyl 4,4-bis(4-hydroxyphenyl)pentanoate
MOLECULAR FORMULA: C19H22O4
MOLECULAR WEIGHT: 314.37558
SMILES: CCOC(=O)CCC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
Structure:
CAS RN: 15074-17-6
CAS Name: 2-hydroxy-3-methyl-1-benzopyran-4-one
OPENEYE Name: 2-hydroxy-3-methyl-chromen-4-one
IUPAC Name: 2-hydroxy-3-methylchromen-4-one
SYSTEMATIC NAME: 3-methyl-2-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C10H8O3
MOLECULAR WEIGHT: 176.16872
SMILES: CC1=C(OC2=CC=CC=C2C1=O)O
Structure:
CAS RN: 4855-64-5
CAS Name: 4,4-bis(4-hydroxyphenyl)pentanoic acid methyl ester
OPENEYE Name: methyl 4,4-bis(4-hydroxyphenyl)pentanoate
IUPAC Name: methyl 4,4-bis(4-hydroxyphenyl)pentanoate
SYSTEMATIC NAME: methyl 4,4-bis(4-hydroxyphenyl)pentanoate
MOLECULAR FORMULA: C18H20O4
MOLECULAR WEIGHT: 300.349
SMILES: CC(CCC(=O)OC)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
Structure:
CAS RN: 606-58-6
CAS Name: 4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-pyrrolo[2,3-d]pyrimidinecarbonitrile
OPENEYE Name: 4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
IUPAC Name: 4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SYSTEMATIC NAME: 4-azanyl-7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C12H13N5O4
MOLECULAR WEIGHT: 291.26272
SMILES: C1=C(C2=C(N1C3C(C(C(O3)CO)O)O)N=CN=C2N)C#N
Structure:
CAS RN: 5235-43-8
CAS Name: 3-[[[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-oxomethyl]amino]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzamide
OPENEYE Name: N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzamide
IUPAC Name: N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzamide
SYSTEMATIC NAME: N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzamide
MOLECULAR FORMULA: C26H25N7O2
MOLECULAR WEIGHT: 467.5224
SMILES: C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)NC(=O)NC4=CC=C(C=C4)C5=NCCN5
Structure:
CAS RN: 22369-96-6
CAS Name: 3-[[[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-oxomethyl]amino]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzamide
OPENEYE Name: N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzamide
IUPAC Name: N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzamide
SYSTEMATIC NAME: N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzamide
MOLECULAR FORMULA: C26H25N7O2
MOLECULAR WEIGHT: 467.5224
SMILES: C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)NC(=O)NC4=CC=C(C=C4)C5=NCCN5
Structure:
CAS RN: 21059-42-7
CAS Name: 1,3-bis[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]urea
OPENEYE Name: 1,3-bis[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]urea
IUPAC Name: 1,3-bis[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]urea
SYSTEMATIC NAME: 1,3-bis[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]urea
MOLECULAR FORMULA: C21H24N6O
MOLECULAR WEIGHT: 376.45486
SMILES: C1CNC(=NC1)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=NCCCN4
Structure:
CAS RN: 87919-20-8
CAS Name: 1-(1H-benzimidazol-2-yl)-2-propanone; oxalic acid
OPENEYE Name: 1-(1H-benzimidazol-2-yl)propan-2-one; oxalic acid
IUPAC Name: 1-(1H-benzimidazol-2-yl)propan-2-one; oxalic acid
SYSTEMATIC NAME: 1-(1H-benzimidazol-2-yl)propan-2-one; ethanedioic acid
MOLECULAR FORMULA: C12H12N2O5
MOLECULAR WEIGHT: 264.23408
SMILES: CC(=O)CC1=NC2=CC=CC=C2N1.C(=O)(C(=O)O)O
Structure:
CAS RN: 7642-58-2
CAS Name: (7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-7,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-7,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-7,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (7R,8R,9S,10R,13S,14S,17S)-7,10,13-trimethyl-17-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C20H30O2
MOLECULAR WEIGHT: 302.451
SMILES: C[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)O)C
Structure:
CAS RN: 37598-64-4
CAS Name: 1-[(3S,5R,6R,8R,9S,10R,13S,14S,16R,17R)-6-fluoro-3,5,17-trihydroxy-10,13,16-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
OPENEYE Name: 1-[(3S,5R,6R,8R,9S,10R,13S,14S,16R,17R)-6-fluoro-3,5,17-trihydroxy-10,13,16-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
IUPAC Name: 1-[(3S,5R,6R,8R,9S,10R,13S,14S,16R,17R)-6-fluoro-3,5,17-trihydroxy-10,13,16-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
SYSTEMATIC NAME: 1-[(3S,5R,6R,8R,9S,10R,13S,14S,16R,17R)-6-fluoranyl-10,13,16-trimethyl-3,5,17-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
MOLECULAR FORMULA: C22H35FO4
MOLECULAR WEIGHT: 382.509303
SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@H]([C@]4(C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@]1(C(=O)C)O)C)C)O)O)F
Structure:
CAS RN: 3264-92-4
CAS Name: 1-[(3S,5R,6R,8R,9S,10R,13S,14S,16R,17R)-6-fluoro-3,5,17-trihydroxy-10,13,16-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
OPENEYE Name: 1-[(3S,5R,6R,8R,9S,10R,13S,14S,16R,17R)-6-fluoro-3,5,17-trihydroxy-10,13,16-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
IUPAC Name: 1-[(3S,5R,6R,8R,9S,10R,13S,14S,16R,17R)-6-fluoro-3,5,17-trihydroxy-10,13,16-trimethyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
SYSTEMATIC NAME: 1-[(3S,5R,6R,8R,9S,10R,13S,14S,16R,17R)-6-fluoranyl-10,13,16-trimethyl-3,5,17-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
MOLECULAR FORMULA: C22H35FO4
MOLECULAR WEIGHT: 382.509303
SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@H]([C@]4(C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@]1(C(=O)C)O)C)C)O)O)F
Structure:
CAS RN: 432-33-7
CAS Name: acetic acid [2-[(6S,8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
OPENEYE Name: [2-[(6S,8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
IUPAC Name: [2-[(6S,8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
SYSTEMATIC NAME: [2-[(6S,8S,9R,10S,11S,13S,14S,17R)-9-fluoranyl-6,10,13-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate
MOLECULAR FORMULA: C24H31FO6
MOLECULAR WEIGHT: 434.497743
SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)COC(=O)C)O
Structure:
CAS RN: 773-14-8
CAS Name: acetic acid [(8S,9S,10R,11R,13S,14S,17S)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-11-spiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]yl] ester
OPENEYE Name: [(8S,9S,10R,11R,13S,14S,17S)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)spiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-11-yl] acetate
IUPAC Name: [(8S,9S,10R,11R,13S,14S,17S)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)spiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-11-yl] acetate
SYSTEMATIC NAME: [(8S,9S,10R,11R,13S,14S,17S)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)spiro[1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-11-yl] ethanoate
MOLECULAR FORMULA: C27H40O6
MOLECULAR WEIGHT: 460.6029
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2C3(OCCO3)C)[C@H]4[C@H]1[C@]5(CCC6(CC5=CC4)OCCO6)C)C
Structure:
CAS RN: 93052-90-5
CAS Name: acetic acid [2-[(6S,8S,9R,10S,11S,13S,14S,17R)-9-bromo-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
OPENEYE Name: [2-[(6S,8S,9R,10S,11S,13S,14S,17R)-9-bromo-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
IUPAC Name: [2-[(6S,8S,9R,10S,11S,13S,14S,17R)-9-bromo-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
SYSTEMATIC NAME: [2-[(6S,8S,9R,10S,11S,13S,14S,17R)-9-bromanyl-6,10,13-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate
MOLECULAR FORMULA: C24H31BrO6
MOLECULAR WEIGHT: 495.40334
SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)C=C4)C)Br)O)C)(C(=O)COC(=O)C)O
Structure:
CAS RN: 1162-54-5
CAS Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H28O2
MOLECULAR WEIGHT: 312.44582
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C
Structure:
CAS RN: 13482-23-0
CAS Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H28O2
MOLECULAR WEIGHT: 312.44582
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C
Structure:
CAS RN: 4160-95-6
CAS Name: 3,3-diethylpentanedioic acid
OPENEYE Name: 3,3-diethylpentanedioic acid
IUPAC Name: 3,3-diethylpentanedioic acid
SYSTEMATIC NAME: 3,3-diethylpentanedioic acid
MOLECULAR FORMULA: C9H16O4
MOLECULAR WEIGHT: 188.22094
SMILES: CCC(CC)(CC(=O)O)CC(=O)O
Structure:
CAS RN: 6965-75-9
CAS Name: 4-amino-N-(4-iodophenyl)benzenesulfonamide
OPENEYE Name: 4-amino-N-(4-iodophenyl)benzenesulfonamide
IUPAC Name: 4-amino-N-(4-iodophenyl)benzenesulfonamide
SYSTEMATIC NAME: 4-azanyl-N-(4-iodophenyl)benzenesulfonamide
MOLECULAR FORMULA: C12H11IN2O2S
MOLECULAR WEIGHT: 374.19741
SMILES: C1=CC(=CC=C1N)S(=O)(=O)NC2=CC=C(C=C2)I
Structure:
CAS RN: 71172-36-6
CAS Name: undecanedinitrile
OPENEYE Name: undecanedinitrile
IUPAC Name: undecanedinitrile
SYSTEMATIC NAME: undecanedinitrile
MOLECULAR FORMULA: C11H18N2
MOLECULAR WEIGHT: 178.27402
SMILES: C(CCCCC#N)CCCCC#N
Structure:
CAS RN: 6965-74-8
CAS Name: 2,4-dichloro-3,5,6-trimethylphenol
OPENEYE Name: 2,4-dichloro-3,5,6-trimethyl-phenol
IUPAC Name: 2,4-dichloro-3,5,6-trimethylphenol
SYSTEMATIC NAME: 2,4-bis(chloranyl)-3,5,6-trimethyl-phenol
MOLECULAR FORMULA: C9H10Cl2O
MOLECULAR WEIGHT: 205.0811
SMILES: CC1=C(C(=C(C(=C1O)Cl)C)Cl)C
Structure:
CAS RN: 15460-04-5
CAS Name: 2,4,6-trichloro-3-ethyl-5-methylphenol
OPENEYE Name: 2,4,6-trichloro-3-ethyl-5-methyl-phenol
IUPAC Name: 2,4,6-trichloro-3-ethyl-5-methylphenol
SYSTEMATIC NAME: 2,4,6-tris(chloranyl)-3-ethyl-5-methyl-phenol
MOLECULAR FORMULA: C9H9Cl3O
MOLECULAR WEIGHT: 239.52616
SMILES: CCC1=C(C(=C(C(=C1Cl)C)Cl)O)Cl
Structure:
CAS RN: 88466-74-4
CAS Name: N,N-bis(2-pyridin-4-ylethyl)hydroxylamine
OPENEYE Name: N,N-bis[2-(4-pyridyl)ethyl]hydroxylamine
IUPAC Name: N,N-bis(2-pyridin-4-ylethyl)hydroxylamine
SYSTEMATIC NAME: N,N-bis(2-pyridin-4-ylethyl)hydroxylamine
MOLECULAR FORMULA: C14H17N3O
MOLECULAR WEIGHT: 243.30428
SMILES: C1=CN=CC=C1CCN(CCC2=CC=NC=C2)O
Structure:
CAS RN: 20348-18-9
CAS Name: 2-chloro-9-(phenylmethyl)-6-(trifluoromethyl)purine
OPENEYE Name: 9-benzyl-2-chloro-6-(trifluoromethyl)purine
IUPAC Name: 9-benzyl-2-chloro-6-(trifluoromethyl)purine
SYSTEMATIC NAME: 2-chloranyl-9-(phenylmethyl)-6-(trifluoromethyl)purine
MOLECULAR FORMULA: C13H8ClF3N4
MOLECULAR WEIGHT: 312.67763
SMILES: C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)Cl)C(F)(F)F
Structure:
CAS RN: 941-24-2
CAS Name: 2-diethoxyphosphoryl-1H-pyrrole
OPENEYE Name: 2-diethoxyphosphoryl-1H-pyrrole
IUPAC Name: 2-diethoxyphosphoryl-1H-pyrrole
SYSTEMATIC NAME: 2-diethoxyphosphoryl-1H-pyrrole
MOLECULAR FORMULA: C8H14NO3P
MOLECULAR WEIGHT: 203.175421
SMILES: CCOP(=O)(C1=CC=CN1)OCC
Structure:
CAS RN: 880361-74-0
CAS Name: (2R,3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-2,10,13-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
OPENEYE Name: (2R,3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-2,10,13-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
IUPAC Name: (2R,3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-2,10,13-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
SYSTEMATIC NAME: (2R,3S,5S,8R,9S,10S,13S,14S)-2,10,13-trimethyl-3-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
MOLECULAR FORMULA: C20H32O2
MOLECULAR WEIGHT: 304.46688
SMILES: C[C@@H]1C[C@]2([C@@H](CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)C[C@@H]1O)C
Structure:
CAS RN: 335-97-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H30F2O2
MOLECULAR WEIGHT: 364.469206
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC5C4C5(F)F)C)C
Structure:
CAS RN: 2462-30-8
CAS Name: 1-[(8R,9S,10R,13S,14S,17S)-13-methyl-1,2,7,8,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
OPENEYE Name: 1-[(8R,9S,10R,13S,14S,17S)-13-methyl-1,2,7,8,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
IUPAC Name: 1-[(8R,9S,10R,13S,14S,17S)-13-methyl-1,2,7,8,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
SYSTEMATIC NAME: 1-[(8R,9S,10R,13S,14S,17S)-13-methyl-1,2,7,8,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
MOLECULAR FORMULA: C20H28O
MOLECULAR WEIGHT: 284.43572
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@H]3CCC=C4)C
Structure:
CAS RN: 932-72-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H30O3
MOLECULAR WEIGHT: 342.4718
SMILES: C[C@]12CC[C@@H]3[C@@]1(C3)[C@@H](C[C@@H]4[C@@H]2CC[C@]5([C@H]4CC[C@@]56C=CC(=O)O6)C)O
Structure:
CAS RN: 7247-99-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H30O3
MOLECULAR WEIGHT: 342.4718
SMILES: C[C@]12CC[C@@H]3[C@@]1(C3)[C@@H](C[C@@H]4[C@@H]2CC[C@]5([C@H]4CC[C@@]56C=CC(=O)O6)C)O
Structure:
CAS RN: 88031-66-7
CAS Name: (4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-1,2,3,4,4a,4b,5,7,8,9,10,10b,11,12-tetradecahydronaphtho[2,1-f]quinolin-8-ol
OPENEYE Name: (4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-1,2,3,4,4a,4b,5,7,8,9,10,10b,11,12-tetradecahydronaphtho[2,1-f]quinolin-8-ol
IUPAC Name: (4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-1,2,3,4,4a,4b,5,7,8,9,10,10b,11,12-tetradecahydronaphtho[2,1-f]quinolin-8-ol
SYSTEMATIC NAME: (4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-1,2,3,4,4a,4b,5,7,8,9,10,10b,11,12-tetradecahydronaphtho[2,1-f]quinolin-8-ol
MOLECULAR FORMULA: C19H31NO
MOLECULAR WEIGHT: 289.45554
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCCN4)C)O
Structure:
CAS RN: 2668-66-8
CAS Name: (6S,8S,9S,10R,11S,13S,14S,17S)-17-acetyl-11-hydroxy-6,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (6S,8S,9S,10R,11S,13S,14S,17S)-17-acetyl-11-hydroxy-6,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (6S,8S,9S,10R,11S,13S,14S,17S)-17-acetyl-11-hydroxy-6,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (6S,8S,9S,10R,11S,13S,14S,17S)-17-ethanoyl-6,10,13-trimethyl-11-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C22H32O3
MOLECULAR WEIGHT: 344.48768
SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@@H]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)CC4)C)O)C)C(=O)C
Structure:
CAS RN: 6961-49-5
CAS Name: 2-(2-chloroanilino)acetic acid
OPENEYE Name: 2-(2-chloroanilino)acetic acid
IUPAC Name: 2-(2-chloroanilino)acetic acid
SYSTEMATIC NAME: 2-[(2-chlorophenyl)amino]ethanoic acid
MOLECULAR FORMULA: C8H8ClNO2
MOLECULAR WEIGHT: 185.60762
SMILES: C1=CC=C(C(=C1)NCC(=O)O)Cl
Structure:
CAS RN: 66416-74-8
CAS Name: 2,3-dibromobutanedioic acid diethyl ester
OPENEYE Name: diethyl 2,3-dibromobutanedioate
IUPAC Name: diethyl 2,3-dibromobutanedioate
SYSTEMATIC NAME: diethyl 2,3-bis(bromanyl)butanedioate
MOLECULAR FORMULA: C8H12Br2O4
MOLECULAR WEIGHT: 331.98648
SMILES: CCOC(=O)C(C(C(=O)OCC)Br)Br
Structure:
CAS RN: 62984-48-9
CAS Name: N-[(4-bromophenyl)methylideneamino]-4-pyridinecarboxamide
OPENEYE Name: N-[(4-bromophenyl)methyleneamino]pyridine-4-carboxamide
IUPAC Name: N-[(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
MOLECULAR FORMULA: C13H10BrN3O
MOLECULAR WEIGHT: 304.142
SMILES: C1=CC(=CC=C1C=NNC(=O)C2=CC=NC=C2)Br
Structure:
CAS RN: 87-98-9
CAS Name: [3,4-bis(1-oxopentylamino)phenyl]arsonic acid
OPENEYE Name: [3,4-bis(pentanoylamino)phenyl]arsonic acid
IUPAC Name: [3,4-bis(pentanoylamino)phenyl]arsonic acid
SYSTEMATIC NAME: [3,4-bis(pentanoylamino)phenyl]arsonic acid
MOLECULAR FORMULA: C16H25AsN2O5
MOLECULAR WEIGHT: 400.3017
SMILES: CCCCC(=O)NC1=C(C=C(C=C1)[As](=O)(O)O)NC(=O)CCCC
Structure:
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