CAS RN: 56957-49-4
CAS Name: 3-methyl-1-(N-methylanilino)-2-pentanone
OPENEYE Name: 3-methyl-1-(N-methylanilino)pentan-2-one
IUPAC Name: 3-methyl-1-(N-methylanilino)pentan-2-one
SYSTEMATIC NAME: 3-methyl-1-[methyl(phenyl)amino]pentan-2-one
MOLECULAR FORMULA: C13H19NO
MOLECULAR WEIGHT: 205.29606
SMILES: CCC(C)C(=O)CN(C)C1=CC=CC=C1
Structure:
CAS RN: 56957-55-2
CAS Name: 1-(dimethylamino)-3-methyl-2-pentanone
OPENEYE Name: 1-(dimethylamino)-3-methyl-pentan-2-one
IUPAC Name: 1-(dimethylamino)-3-methylpentan-2-one
SYSTEMATIC NAME: 1-(dimethylamino)-3-methyl-pentan-2-one
MOLECULAR FORMULA: C8H17NO
MOLECULAR WEIGHT: 143.22668
SMILES: CCC(C)C(=O)CN(C)C
Structure:
CAS RN: 10524-60-4
CAS Name: 3-(dimethylamino)-2-butanone
OPENEYE Name: 3-(dimethylamino)butan-2-one
IUPAC Name: 3-(dimethylamino)butan-2-one
SYSTEMATIC NAME: 3-(dimethylamino)butan-2-one
MOLECULAR FORMULA: C6H13NO
MOLECULAR WEIGHT: 115.17352
SMILES: CC(C(=O)C)N(C)C
Structure:
CAS RN: 56424-49-8
CAS Name: 2-(N-methylanilino)-3-pentanone
OPENEYE Name: 2-(N-methylanilino)pentan-3-one
IUPAC Name: 2-(N-methylanilino)pentan-3-one
SYSTEMATIC NAME: 2-[methyl(phenyl)amino]pentan-3-one
MOLECULAR FORMULA: C12H17NO
MOLECULAR WEIGHT: 191.26948
SMILES: CCC(=O)C(C)N(C)C1=CC=CC=C1
Structure:
CAS RN: 56424-50-1
CAS Name: 2-[cyclohexyl(methyl)amino]-3-pentanone
OPENEYE Name: 2-[cyclohexyl(methyl)amino]pentan-3-one
IUPAC Name: 2-[cyclohexyl(methyl)amino]pentan-3-one
SYSTEMATIC NAME: 2-[cyclohexyl(methyl)amino]pentan-3-one
MOLECULAR FORMULA: C12H23NO
MOLECULAR WEIGHT: 197.31712
SMILES: CCC(=O)C(C)N(C)C1CCCCC1
Structure:
CAS RN: 35785-66-1
CAS Name: 3-[4-[4-(4-hydroxycyclohexyl)hexan-3-yl]cyclohexyl]-2H-furan-5-one
OPENEYE Name: 3-[4-[1-ethyl-2-(4-hydroxycyclohexyl)butyl]cyclohexyl]-2H-furan-5-one
IUPAC Name: 3-[4-[4-(4-hydroxycyclohexyl)hexan-3-yl]cyclohexyl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[4-[4-(4-oxidanylcyclohexyl)hexan-3-yl]cyclohexyl]-2H-furan-5-one
MOLECULAR FORMULA: C22H36O3
MOLECULAR WEIGHT: 348.51944
SMILES: CCC(C1CCC(CC1)C2=CC(=O)OC2)C(CC)C3CCC(CC3)O
Structure:
CAS RN: 60775-74-8
CAS Name: 5-[3-[4-(4-hydroxycyclohexyl)hexan-3-yl]cyclopentyl]-2-pyranone
OPENEYE Name: 5-[3-[1-ethyl-2-(4-hydroxycyclohexyl)butyl]cyclopentyl]pyran-2-one
IUPAC Name: 5-[3-[4-(4-hydroxycyclohexyl)hexan-3-yl]cyclopentyl]pyran-2-one
SYSTEMATIC NAME: 5-[3-[4-(4-oxidanylcyclohexyl)hexan-3-yl]cyclopentyl]pyran-2-one
MOLECULAR FORMULA: C22H34O3
MOLECULAR WEIGHT: 346.50356
SMILES: CCC(C1CCC(CC1)O)C(CC)C2CCC(C2)C3=COC(=O)C=C3
Structure:
CAS RN: 39083-44-8
CAS Name: acetic acid [6-acetyloxy-4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-7,11-dioxo-2,3,12,15,16,17-hexahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [6-acetoxy-17-(1,5-dimethylhexyl)-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,12,15,16,17-hexahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [6-acetyloxy-4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-7,11-dioxo-2,3,12,15,16,17-hexahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [6-acetyloxy-4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-7,11-bis(oxidanylidene)-2,3,12,15,16,17-hexahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C34H50O6
MOLECULAR WEIGHT: 554.7572
SMILES: CC(C)CCCC(C)C1CCC2(C1(CC(=O)C3=C2C(=O)C(=C4C3(CCC(C4(C)C)OC(=O)C)C)OC(=O)C)C)C
Structure:
CAS RN: 60915-51-7
CAS Name: 3,6-dihydroxy-4,4,10,13,14-pentamethyl-1,2,3,12,15,16-hexahydrocyclopenta[a]phenanthrene-7,11,17-trione
OPENEYE Name: 3,6-dihydroxy-4,4,10,13,14-pentamethyl-1,2,3,12,15,16-hexahydrocyclopenta[a]phenanthrene-7,11,17-trione
IUPAC Name: 3,6-dihydroxy-4,4,10,13,14-pentamethyl-1,2,3,12,15,16-hexahydrocyclopenta[a]phenanthrene-7,11,17-trione
SYSTEMATIC NAME: 4,4,10,13,14-pentamethyl-3,6-bis(oxidanyl)-1,2,3,12,15,16-hexahydrocyclopenta[a]phenanthrene-7,11,17-trione
MOLECULAR FORMULA: C22H28O5
MOLECULAR WEIGHT: 372.45472
SMILES: CC1(C(CCC2(C1=C(C(=O)C3=C2C(=O)CC4(C3(CCC4=O)C)C)O)C)O)C
Structure:
CAS RN: 60915-52-8
CAS Name: acetic acid (6-acetyloxy-17-but-3-en-2-yl-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,12,15,16,17-hexahydro-1H-cyclopenta[a]phenanthren-3-yl) ester
OPENEYE Name: [6-acetoxy-4,4,10,13,14-pentamethyl-17-(1-methylallyl)-7,11-dioxo-2,3,12,15,16,17-hexahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: (6-acetyloxy-17-but-3-en-2-yl-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,12,15,16,17-hexahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
SYSTEMATIC NAME: [6-acetyloxy-17-but-3-en-2-yl-4,4,10,13,14-pentamethyl-7,11-bis(oxidanylidene)-2,3,12,15,16,17-hexahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C30H40O6
MOLECULAR WEIGHT: 496.635
SMILES: CC(C=C)C1CCC2(C1(CC(=O)C3=C2C(=O)C(=C4C3(CCC(C4(C)C)OC(=O)C)C)OC(=O)C)C)C
Structure:
CAS RN: 76867-09-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H13IN4O4
MOLECULAR WEIGHT: 416.17119
SMILES: C1=CN2C=NC3=C(C2=N1)C(=CN3C4C(C(C(O4)CO)O)O)I
Structure:
CAS RN: 465-22-5
CAS Name: 5-[(3S,8R,9S,10R,13R,14S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-pyranone
OPENEYE Name: 5-[(3S,8R,9S,10R,13R,14S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
IUPAC Name: 5-[(3S,8R,9S,10R,13R,14S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
SYSTEMATIC NAME: 5-[(3S,8R,9S,10R,13R,14S)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
MOLECULAR FORMULA: C24H32O4
MOLECULAR WEIGHT: 384.50848
SMILES: C[C@]12CC[C@@H](C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CCC4C5=COC(=O)C=C5)O)C)O
Structure:
CAS RN: 62128-05-6
CAS Name: N-[4-[(5-nitro-2-thiophenyl)methylideneamino]phenyl]acetamide
OPENEYE Name: N-[4-[(5-nitro-2-thienyl)methyleneamino]phenyl]acetamide
IUPAC Name: N-[4-[(5-nitrothiophen-2-yl)methylideneamino]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[(5-nitrothiophen-2-yl)methylideneamino]phenyl]ethanamide
MOLECULAR FORMULA: C13H11N3O3S
MOLECULAR WEIGHT: 289.30974
SMILES: CC(=O)NC1=CC=C(C=C1)N=CC2=CC=C(S2)[N+](=O)[O-]
Structure:
CAS RN: 27096-92-0
CAS Name: 4-[2-(2-methyl-4-nitro-1-imidazolyl)ethyl]morpholine
OPENEYE Name: 4-[2-(2-methyl-4-nitro-imidazol-1-yl)ethyl]morpholine
IUPAC Name: 4-[2-(2-methyl-4-nitroimidazol-1-yl)ethyl]morpholine
SYSTEMATIC NAME: 4-[2-(2-methyl-4-nitro-imidazol-1-yl)ethyl]morpholine
MOLECULAR FORMULA: C10H16N4O3
MOLECULAR WEIGHT: 240.25904
SMILES: CC1=NC(=CN1CCN2CCOCC2)[N+](=O)[O-]
Structure:
CAS RN: 38367-40-7
CAS Name: 2-chloro-1-phenyl-3-indolecarboxaldehyde
OPENEYE Name: 2-chloro-1-phenyl-indole-3-carbaldehyde
IUPAC Name: 2-chloro-1-phenylindole-3-carbaldehyde
SYSTEMATIC NAME: 2-chloranyl-1-phenyl-indole-3-carbaldehyde
MOLECULAR FORMULA: C15H10ClNO
MOLECULAR WEIGHT: 255.699
SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C2Cl)C=O
Structure:
CAS RN: 24279-74-1
CAS Name: 2-chloro-1-methyl-3-indolecarboxaldehyde
OPENEYE Name: 2-chloro-1-methyl-indole-3-carbaldehyde
IUPAC Name: 2-chloro-1-methylindole-3-carbaldehyde
SYSTEMATIC NAME: 2-chloranyl-1-methyl-indole-3-carbaldehyde
MOLECULAR FORMULA: C10H8ClNO
MOLECULAR WEIGHT: 193.62962
SMILES: CN1C2=CC=CC=C2C(=C1Cl)C=O
Structure:
CAS RN: 5059-30-3
CAS Name: 2-chloro-1H-indole-3-carboxaldehyde
OPENEYE Name: 2-chloro-1H-indole-3-carbaldehyde
IUPAC Name: 2-chloro-1H-indole-3-carbaldehyde
SYSTEMATIC NAME: 2-chloranyl-1H-indole-3-carbaldehyde
MOLECULAR FORMULA: C9H6ClNO
MOLECULAR WEIGHT: 179.60304
SMILES: C1=CC=C2C(=C1)C(=C(N2)Cl)C=O
Structure:
CAS RN: 54778-14-2
CAS Name: 1-benzoyl-2-chloro-3-indolecarboxaldehyde
OPENEYE Name: 1-benzoyl-2-chloro-indole-3-carbaldehyde
IUPAC Name: 1-benzoyl-2-chloroindole-3-carbaldehyde
SYSTEMATIC NAME: 2-chloranyl-1-(phenylcarbonyl)indole-3-carbaldehyde
MOLECULAR FORMULA: C16H10ClNO2
MOLECULAR WEIGHT: 283.7091
SMILES: C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3C(=C2Cl)C=O
Structure:
CAS RN: 57989-35-2
CAS Name: 2-chloro-1-[(2-chlorophenyl)-oxomethyl]-3-indolecarboxaldehyde
OPENEYE Name: 2-chloro-1-(2-chlorobenzoyl)indole-3-carbaldehyde
IUPAC Name: 2-chloro-1-(2-chlorobenzoyl)indole-3-carbaldehyde
SYSTEMATIC NAME: 2-chloranyl-1-(2-chlorophenyl)carbonyl-indole-3-carbaldehyde
MOLECULAR FORMULA: C16H9Cl2NO2
MOLECULAR WEIGHT: 318.15416
SMILES: C1=CC=C2C(=C1)C(=C(N2C(=O)C3=CC=CC=C3Cl)Cl)C=O
Structure:
CAS RN: 57989-37-4
CAS Name: 2-chloro-1-[(4-methylphenyl)-oxomethyl]-3-indolecarboxaldehyde
OPENEYE Name: 2-chloro-1-(4-methylbenzoyl)indole-3-carbaldehyde
IUPAC Name: 2-chloro-1-(4-methylbenzoyl)indole-3-carbaldehyde
SYSTEMATIC NAME: 2-chloranyl-1-(4-methylphenyl)carbonyl-indole-3-carbaldehyde
MOLECULAR FORMULA: C17H12ClNO2
MOLECULAR WEIGHT: 297.73568
SMILES: CC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3C(=C2Cl)C=O
Structure:
CAS RN: 3335-98-6
CAS Name: 1-phenyl-3H-indol-2-one
OPENEYE Name: 1-phenylindolin-2-one
IUPAC Name: 1-phenyl-3H-indol-2-one
SYSTEMATIC NAME: 1-phenyl-3H-indol-2-one
MOLECULAR FORMULA: C14H11NO
MOLECULAR WEIGHT: 209.24324
SMILES: C1C2=CC=CC=C2N(C1=O)C3=CC=CC=C3
Structure:
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