Product OPENEYE NAME: (1-cyanoindolizin-2-yl)methyl 6-cyclopropyl-3-methyl-isoxazolo[5,4-b]pyridine-4-carboxylate
CAS Name: 6-cyclopropyl-3-methyl-4-isoxazolo[5,4-b]pyridinecarboxylic acid (1-cyano-2-indolizinyl)methyl ester
IUPAC NAME: (1-cyanoindolizin-2-yl)methyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SYSTEMATIC NAME: (1-cyanoindolizin-2-yl)methyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
MOLECULAR FORMULA: C21H16N4O3
MOLECULAR WEIGHT: 372.37674
SMILES: CC1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)OCC4=CN5C=CC=CC5=C4C#N
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Product OPENEYE NAME: (1S,5R)-3-[2-(cyclohexylamino)pyridin-1-ium-1-carbonyl]bicyclo[3.3.1]nonan-9-one
CAS Name: (1S,5R)-3-[[2-(cyclohexylamino)-1-pyridin-1-iumyl]-oxomethyl]-9-bicyclo[3.3.1]nonanone
IUPAC NAME: (1S,5R)-3-[2-(cyclohexylamino)pyridin-1-ium-1-carbonyl]bicyclo[3.3.1]nonan-9-one
SYSTEMATIC NAME: (1S,5R)-3-[2-(cyclohexylamino)pyridin-1-ium-1-yl]carbonylbicyclo[3.3.1]nonan-9-one
MOLECULAR FORMULA: C21H29N2O2+
MOLECULAR WEIGHT: 341.46716
SMILES: C1CCC(CC1)NC2=CC=CC=[N+]2C(=O)C3C[C@H]4CCC[C@@H](C3)C4=O
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Product OPENEYE NAME: 6-chloro-7-[4-[3-(2,4-dimethylphenyl)propanoyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
CAS Name: 6-chloro-7-[[4-[3-(2,4-dimethylphenyl)-1-oxopropyl]-1-piperazinyl]sulfonyl]-4H-1,4-benzoxazin-3-one
IUPAC NAME: 6-chloro-7-[4-[3-(2,4-dimethylphenyl)propanoyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 6-chloranyl-7-[4-[3-(2,4-dimethylphenyl)propanoyl]piperazin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C23H26ClN3O5S
MOLECULAR WEIGHT: 491.98764
SMILES: CC1=CC(=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl)C
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Product OPENEYE NAME: N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-N-methyl-benzamide
CAS Name: N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-N-methylbenzamide
IUPAC NAME: N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-methylbenzamide
SYSTEMATIC NAME: N-[(1S)-1-[3,4-bis(fluoranyl)phenyl]ethyl]-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-methyl-benzamide
MOLECULAR FORMULA: C23H28F2N2O3S
MOLECULAR WEIGHT: 450.541826
SMILES: C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(C)[C@@H](C)C3=CC(=C(C=C3)F)F)C
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Product OPENEYE NAME: N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-[[(3R,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-N-methyl-benzamide
CAS Name: N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-[[(3R,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]-N-methylbenzamide
IUPAC NAME: N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-methylbenzamide
SYSTEMATIC NAME: N-[(1S)-1-[3,4-bis(fluoranyl)phenyl]ethyl]-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-methyl-benzamide
MOLECULAR FORMULA: C23H28F2N2O3S
MOLECULAR WEIGHT: 450.541826
SMILES: C[C@@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(C)[C@@H](C)C3=CC(=C(C=C3)F)F)C
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Product OPENEYE NAME: N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]-N-methyl-benzamide
CAS Name: N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]-N-methylbenzamide
IUPAC NAME: N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-methylbenzamide
SYSTEMATIC NAME: N-[(1S)-1-[3,4-bis(fluoranyl)phenyl]ethyl]-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-methyl-benzamide
MOLECULAR FORMULA: C23H28F2N2O3S
MOLECULAR WEIGHT: 450.541826
SMILES: C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(C)[C@@H](C)C3=CC(=C(C=C3)F)F)C
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Product OPENEYE NAME: 4-[(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-isoxazole
CAS Name: 4-[[(1-cyclopropyl-5-phenyl-2-imidazolyl)thio]methyl]-3,5-dimethylisoxazole
IUPAC NAME: 4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
SYSTEMATIC NAME: 4-[(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
MOLECULAR FORMULA: C18H19N3OS
MOLECULAR WEIGHT: 325.42796
SMILES: CC1=C(C(=NO1)C)CSC2=NC=C(N2C3CC3)C4=CC=CC=C4
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Product OPENEYE NAME: benzyl N-[(1R)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]-methyl-amino]-1-methyl-2-oxo-ethyl]carbamate
CAS Name: N-[(2R)-1-[[(1S)-1-(3,4-difluorophenyl)ethyl]-methylamino]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester
IUPAC NAME: benzyl N-[(2R)-1-[[(1S)-1-(3,4-difluorophenyl)ethyl]-methylamino]-1-oxopropan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2R)-1-[[(1S)-1-[3,4-bis(fluoranyl)phenyl]ethyl]-methyl-amino]-1-oxidanylidene-propan-2-yl]carbamate
MOLECULAR FORMULA: C20H22F2N2O3
MOLECULAR WEIGHT: 376.397086
SMILES: C[C@@H](C1=CC(=C(C=C1)F)F)N(C)C(=O)[C@@H](C)NC(=O)OCC2=CC=CC=C2
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Product OPENEYE NAME: benzyl N-[(1R)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]-methyl-amino]-1-methyl-2-oxo-ethyl]carbamate
CAS Name: N-[(2R)-1-[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester
IUPAC NAME: benzyl N-[(2R)-1-[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]-1-oxopropan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2R)-1-[[(1R)-1-[3,4-bis(fluoranyl)phenyl]ethyl]-methyl-amino]-1-oxidanylidene-propan-2-yl]carbamate
MOLECULAR FORMULA: C20H22F2N2O3
MOLECULAR WEIGHT: 376.397086
SMILES: C[C@H](C1=CC(=C(C=C1)F)F)N(C)C(=O)[C@@H](C)NC(=O)OCC2=CC=CC=C2
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Product OPENEYE NAME: N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-oxo-1H-quinoline-4-carboxamide
CAS Name: N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-oxo-1H-quinoline-4-carboxamide
IUPAC NAME: N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-oxo-1H-quinoline-4-carboxamide
SYSTEMATIC NAME: N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-oxidanylidene-1H-quinoline-4-carboxamide
MOLECULAR FORMULA: C19H20N4O3
MOLECULAR WEIGHT: 352.3871
SMILES: CC1=NC(=NO1)C2(CCCCC2)NC(=O)C3=CC(=O)NC4=CC=CC=C43
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Product OPENEYE NAME: 4-[[(2S)-tetrahydrofuran-2-yl]methoxy]-N-[(4-ureidophenyl)methyl]benzamide
CAS Name: N-[[4-(carbamoylamino)phenyl]methyl]-4-[[(2S)-2-oxolanyl]methoxy]benzamide
IUPAC NAME: N-[[4-(carbamoylamino)phenyl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
SYSTEMATIC NAME: N-[[4-(aminocarbonylamino)phenyl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
MOLECULAR FORMULA: C20H23N3O4
MOLECULAR WEIGHT: 369.41432
SMILES: C1C[C@H](OC1)COC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)NC(=O)N
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Product OPENEYE NAME: 4-[[(2R)-tetrahydrofuran-2-yl]methoxy]-N-[(4-ureidophenyl)methyl]benzamide
CAS Name: N-[[4-(carbamoylamino)phenyl]methyl]-4-[[(2R)-2-oxolanyl]methoxy]benzamide
IUPAC NAME: N-[[4-(carbamoylamino)phenyl]methyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
SYSTEMATIC NAME: N-[[4-(aminocarbonylamino)phenyl]methyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
MOLECULAR FORMULA: C20H23N3O4
MOLECULAR WEIGHT: 369.41432
SMILES: C1C[C@@H](OC1)COC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)NC(=O)N
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Product OPENEYE NAME: N-[(4-ureidophenyl)methyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide
CAS Name: N-[[4-(carbamoylamino)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
IUPAC NAME: N-[[4-(carbamoylamino)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SYSTEMATIC NAME: N-[[4-(aminocarbonylamino)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
MOLECULAR FORMULA: C17H19N3O2S
MOLECULAR WEIGHT: 329.41666
SMILES: C1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC=C(C=C3)NC(=O)N
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Product OPENEYE NAME: 2-(4-ethoxyphenyl)-N-[(4-ureidophenyl)methyl]acetamide
CAS Name: N-[[4-(carbamoylamino)phenyl]methyl]-2-(4-ethoxyphenyl)acetamide
IUPAC NAME: N-[[4-(carbamoylamino)phenyl]methyl]-2-(4-ethoxyphenyl)acetamide
SYSTEMATIC NAME: N-[[4-(aminocarbonylamino)phenyl]methyl]-2-(4-ethoxyphenyl)ethanamide
MOLECULAR FORMULA: C18H21N3O3
MOLECULAR WEIGHT: 327.37764
SMILES: CCOC1=CC=C(C=C1)CC(=O)NCC2=CC=C(C=C2)NC(=O)N
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Product OPENEYE NAME: 4-[(2S)-3-(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanyl-2-hydroxy-propoxy]benzonitrile
CAS Name: 4-[(2S)-3-[(1-cyclopropyl-5-phenyl-2-imidazolyl)thio]-2-hydroxypropoxy]benzonitrile
IUPAC NAME: 4-[(2S)-3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-2-hydroxypropoxy]benzonitrile
SYSTEMATIC NAME: 4-[(2S)-3-(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanyl-2-oxidanyl-propoxy]benzenecarbonitrile
MOLECULAR FORMULA: C22H21N3O2S
MOLECULAR WEIGHT: 391.48604
SMILES: C1CC1N2C(=CN=C2SC[C@H](COC3=CC=C(C=C3)C#N)O)C4=CC=CC=C4
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Product OPENEYE NAME: 4-[(2R)-3-(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanyl-2-hydroxy-propoxy]benzonitrile
CAS Name: 4-[(2R)-3-[(1-cyclopropyl-5-phenyl-2-imidazolyl)thio]-2-hydroxypropoxy]benzonitrile
IUPAC NAME: 4-[(2R)-3-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-2-hydroxypropoxy]benzonitrile
SYSTEMATIC NAME: 4-[(2R)-3-(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanyl-2-oxidanyl-propoxy]benzenecarbonitrile
MOLECULAR FORMULA: C22H21N3O2S
MOLECULAR WEIGHT: 391.48604
SMILES: C1CC1N2C(=CN=C2SC[C@@H](COC3=CC=C(C=C3)C#N)O)C4=CC=CC=C4
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