Product OPENEYE NAME: [(1S,3R,9bR)-7,8-dimethoxy-3-prop-2-ynyl-2,4,5,9b-tetrahydro-1H-azeto[2,1-a]isoquinolin-3-ium-1-yl]methanol
CAS Name: [(1S,3R,9bR)-7,8-dimethoxy-3-prop-2-ynyl-2,4,5,9b-tetrahydro-1H-azeto[2,1-a]isoquinolin-3-ium-1-yl]methanol
IUPAC NAME: [(1S,3R,9bR)-7,8-dimethoxy-3-prop-2-ynyl-2,4,5,9b-tetrahydro-1H-azeto[2,1-a]isoquinolin-3-ium-1-yl]methanol
SYSTEMATIC NAME: [(1S,3R,9bR)-7,8-dimethoxy-3-prop-2-ynyl-2,4,5,9b-tetrahydro-1H-azeto[2,1-a]isoquinolin-3-ium-1-yl]methanol
MOLECULAR FORMULA: C17H22NO3+
MOLECULAR WEIGHT: 288.36148
SMILES: COC1=C(C=C2[C@H]3[C@H](C[N@+]3(CCC2=C1)CC#C)CO)OC
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Product OPENEYE NAME: (3aR,8aR)-8a-(benzenesulfonyl)-8-methoxy-3,3,4,4,6-pentamethyl-3aH-pyrazolo[3,4-d]diazepin-5-one
CAS Name: (3aR,8aR)-8a-(benzenesulfonyl)-8-methoxy-3,3,4,4,6-pentamethyl-3aH-pyrazolo[3,4-d]diazepin-5-one
IUPAC NAME: (3aR,8aR)-8a-(benzenesulfonyl)-8-methoxy-3,3,4,4,6-pentamethyl-3aH-pyrazolo[3,4-d]diazepin-5-one
SYSTEMATIC NAME: (3aR,8aR)-8-methoxy-3,3,4,4,6-pentamethyl-8a-(phenylsulfonyl)-3aH-pyrazolo[3,4-d][1,2]diazepin-5-one
MOLECULAR FORMULA: C18H24N4O4S
MOLECULAR WEIGHT: 392.47256
SMILES: CC1([C@H]2[C@@](C(=NN(C1=O)C)OC)(N=NC2(C)C)S(=O)(=O)C3=CC=CC=C3)C
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Product OPENEYE NAME: (3aS,7aS)-5,6-dimethylspiro[3a,7a-dihydropyrazolo[3,4-d]pyridazine-3,1'-indane]-4,7-dione
CAS Name: (3'aS,7'aS)-5',6'-dimethylspiro[1,2-dihydroindene-3,3'-3a,7a-dihydropyrazolo[3,4-d]pyridazine]-4',7'-dione
IUPAC NAME: (3'aS,7'aS)-5',6'-dimethylspiro[1,2-dihydroindene-3,3'-3a,7a-dihydropyrazolo[3,4-d]pyridazine]-4',7'-dione
SYSTEMATIC NAME: (3'aS,7'aS)-5',6'-dimethylspiro[1,2-dihydroindene-3,3'-3a,7a-dihydropyrazolo[3,4-d]pyridazine]-4',7'-dione
MOLECULAR FORMULA: C15H16N4O2
MOLECULAR WEIGHT: 284.31314
SMILES: CN1C(=O)[C@H]2[C@@H](C(=O)N1C)N=NC23CCC4=CC=CC=C34
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MOLECULAR FORMULA: C13H10N2O2
MOLECULAR WEIGHT: 226.2307
SMILES: CN=C1C2=CC=CN2C3=CC4=C(C=C31)OCO4
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MOLECULAR FORMULA: C14H12N2O2
MOLECULAR WEIGHT: 240.25728
SMILES: CCN=C1C2=CC=CN2C3=CC4=C(C=C31)OCO4
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MOLECULAR FORMULA: C16H16N2O2
MOLECULAR WEIGHT: 268.31044
SMILES: CCCCN=C1C2=CC=CN2C3=CC4=C(C=C31)OCO4
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Product OPENEYE NAME: 6-pyrrol-1-yl-1,3-benzodioxole-5-carbonyl chloride
CAS Name: 6-(1-pyrrolyl)-1,3-benzodioxole-5-carbonyl chloride
IUPAC NAME: 6-pyrrol-1-yl-1,3-benzodioxole-5-carbonyl chloride
SYSTEMATIC NAME: 6-pyrrol-1-yl-1,3-benzodioxole-5-carbonyl chloride
MOLECULAR FORMULA: C12H8ClNO3
MOLECULAR WEIGHT: 249.64982
SMILES: C1OC2=C(O1)C=C(C(=C2)C(=O)Cl)N3C=CC=C3
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Product OPENEYE NAME: propyl 3-[acetyl(benzyl)amino]benzofuran-2-carboxylate
CAS Name: 3-[acetyl-(phenylmethyl)amino]-2-benzofurancarboxylic acid propyl ester
IUPAC NAME: propyl 3-[acetyl(benzyl)amino]-1-benzofuran-2-carboxylate
SYSTEMATIC NAME: propyl 3-[ethanoyl-(phenylmethyl)amino]-1-benzofuran-2-carboxylate
MOLECULAR FORMULA: C21H21NO4
MOLECULAR WEIGHT: 351.39574
SMILES: CCCOC(=O)C1=C(C2=CC=CC=C2O1)N(CC3=CC=CC=C3)C(=O)C
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Product OPENEYE NAME: 3-[acetyl(benzyl)amino]benzofuran-2-carboxylic acid
CAS Name: 3-[acetyl-(phenylmethyl)amino]-2-benzofurancarboxylic acid
IUPAC NAME: 3-[acetyl(benzyl)amino]-1-benzofuran-2-carboxylic acid
SYSTEMATIC NAME: 3-[ethanoyl-(phenylmethyl)amino]-1-benzofuran-2-carboxylic acid
MOLECULAR FORMULA: C18H15NO4
MOLECULAR WEIGHT: 309.316
SMILES: CC(=O)N(CC1=CC=CC=C1)C2=C(OC3=CC=CC=C32)C(=O)O
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Product OPENEYE NAME: ethyl (E)-3-(benzylamino)-2-(7H-purin-6-yl)prop-2-enoate
CAS Name: (E)-3-[(phenylmethyl)amino]-2-(7H-purin-6-yl)-2-propenoic acid ethyl ester
IUPAC NAME: ethyl (E)-3-(benzylamino)-2-(7H-purin-6-yl)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-[(phenylmethyl)amino]-2-(7H-purin-6-yl)prop-2-enoate
MOLECULAR FORMULA: C17H17N5O2
MOLECULAR WEIGHT: 323.34918
SMILES: CCOC(=O)/C(=C/NCC1=CC=CC=C1)/C2=C3C(=NC=N2)N=CN3
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Product OPENEYE NAME: ethyl (E)-3-anilino-2-(7H-purin-6-yl)prop-2-enoate
CAS Name: (E)-3-anilino-2-(7H-purin-6-yl)-2-propenoic acid ethyl ester
IUPAC NAME: ethyl (E)-3-anilino-2-(7H-purin-6-yl)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-phenylazanyl-2-(7H-purin-6-yl)prop-2-enoate
MOLECULAR FORMULA: C16H15N5O2
MOLECULAR WEIGHT: 309.3226
SMILES: CCOC(=O)/C(=C/NC1=CC=CC=C1)/C2=C3C(=NC=N2)N=CN3
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Product OPENEYE NAME: ethyl (E)-3-amino-2-(7H-purin-6-yl)prop-2-enoate
CAS Name: (E)-3-amino-2-(7H-purin-6-yl)-2-propenoic acid ethyl ester
IUPAC NAME: ethyl (E)-3-amino-2-(7H-purin-6-yl)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-azanyl-2-(7H-purin-6-yl)prop-2-enoate
MOLECULAR FORMULA: C10H11N5O2
MOLECULAR WEIGHT: 233.22664
SMILES: CCOC(=O)/C(=C/N)/C1=C2C(=NC=N1)N=CN2
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Product OPENEYE NAME: 5-[cyclohexyl(methyl)amino]-5-oxo-pentanoyl chloride
CAS Name: 5-[cyclohexyl(methyl)amino]-5-oxopentanoyl chloride
IUPAC NAME: 5-[cyclohexyl(methyl)amino]-5-oxopentanoyl chloride
SYSTEMATIC NAME: 5-[cyclohexyl(methyl)amino]-5-oxidanylidene-pentanoyl chloride
MOLECULAR FORMULA: C12H20ClNO2
MOLECULAR WEIGHT: 245.7457
SMILES: CN(C1CCCCC1)C(=O)CCCC(=O)Cl
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Product OPENEYE NAME: 2,8-dibenzyl-4,6-dimethyl-1$l^{4}-thia-2,4,6,8-tetrazabicyclo[3.3.0]oct-1(5)-ene-3,7-dione
CAS Name: 4,6-dimethyl-2,8-bis(phenylmethyl)-1$l^{4}-thia-2,4,6,8-tetrazabicyclo[3.3.0]oct-1(5)-ene-3,7-dione
IUPAC NAME: 2,8-dibenzyl-4,6-dimethyl-1$l^{4}-thia-2,4,6,8-tetrazabicyclo[3.3.0]oct-1(5)-ene-3,7-dione
SYSTEMATIC NAME: 4,6-dimethyl-2,8-bis(phenylmethyl)-1$l^{4}-thia-2,4,6,8-tetrazabicyclo[3.3.0]oct-1(5)-ene-3,7-dione
MOLECULAR FORMULA: C19H20N4O2S
MOLECULAR WEIGHT: 368.4527
SMILES: CN1C(=O)N(S2=C1N(C(=O)N2CC3=CC=CC=C3)C)CC4=CC=CC=C4
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