Product OPENEYE NAME: (4S,11bS)-4-(dimethylamino)-N-ethyl-4,4a,6,11b-tetrahydro-1H-[1,3]dioxolo[4,5-j]phenanthridine-5-carboxamide
CAS Name: (4S,11bS)-4-(dimethylamino)-N-ethyl-4,4a,6,11b-tetrahydro-1H-[1,3]dioxolo[4,5-j]phenanthridine-5-carboxamide
IUPAC NAME: (4S,11bS)-4-(dimethylamino)-N-ethyl-4,4a,6,11b-tetrahydro-1H-[1,3]dioxolo[4,5-j]phenanthridine-5-carboxamide
SYSTEMATIC NAME: (4S,11bS)-4-(dimethylamino)-N-ethyl-4,4a,6,11b-tetrahydro-1H-[1,3]dioxolo[4,5-j]phenanthridine-5-carboxamide
MOLECULAR FORMULA: C19H25N3O3
MOLECULAR WEIGHT: 343.4201
SMILES: CCNC(=O)N1CC2=CC3=C(C=C2[C@H]4C1[C@H](C=CC4)N(C)C)OCO3
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Product OPENEYE NAME: 5-[(E)-2-nitrovinyl]-3a,7a-dihydro-1,3-benzodioxole
CAS Name: 5-[(E)-2-nitroethenyl]-3a,7a-dihydro-1,3-benzodioxole
IUPAC NAME: 5-[(E)-2-nitroethenyl]-3a,7a-dihydro-1,3-benzodioxole
SYSTEMATIC NAME: 5-[(E)-2-nitroethenyl]-3a,7a-dihydro-1,3-benzodioxole
MOLECULAR FORMULA: C9H9NO4
MOLECULAR WEIGHT: 195.17206
SMILES: C1OC2C=CC(=CC2O1)/C=C/[N+](=O)[O-]
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Product OPENEYE NAME: [4-[(1S,5S)-6-amino-5-(dimethylamino)cyclohex-3-en-1-yl]-2-methoxy-phenyl] N-ethylcarbamate
CAS Name: N-ethylcarbamic acid [4-[(1S,5S)-6-amino-5-(dimethylamino)-1-cyclohex-3-enyl]-2-methoxyphenyl] ester
IUPAC NAME: [4-[(1S,5S)-6-amino-5-(dimethylamino)cyclohex-3-en-1-yl]-2-methoxyphenyl] N-ethylcarbamate
SYSTEMATIC NAME: [4-[(1S,5S)-6-azanyl-5-(dimethylamino)cyclohex-3-en-1-yl]-2-methoxy-phenyl] N-ethylcarbamate
MOLECULAR FORMULA: C18H27N3O3
MOLECULAR WEIGHT: 333.42528
SMILES: CCNC(=O)OC1=C(C=C(C=C1)[C@@H]2CC=C[C@@H](C2N)N(C)C)OC
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Product OPENEYE NAME: 4-[(1S,5S)-6-amino-5-(dimethylamino)cyclohex-3-en-1-yl]-2-methoxy-phenol
CAS Name: 4-[(1S,5S)-6-amino-5-(dimethylamino)-1-cyclohex-3-enyl]-2-methoxyphenol
IUPAC NAME: 4-[(1S,5S)-6-amino-5-(dimethylamino)cyclohex-3-en-1-yl]-2-methoxyphenol
SYSTEMATIC NAME: 4-[(1S,5S)-6-azanyl-5-(dimethylamino)cyclohex-3-en-1-yl]-2-methoxy-phenol
MOLECULAR FORMULA: C15H22N2O2
MOLECULAR WEIGHT: 262.34738
SMILES: CN(C)[C@H]1C=CC[C@H](C1N)C2=CC(=C(C=C2)O)OC
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Product OPENEYE NAME: (2S,6S)-N2,N2-dimethyl-6-(2-naphthyl)cyclohex-3-ene-1,2-diamine
CAS Name: (2S,6S)-N2,N2-dimethyl-6-(2-naphthalenyl)cyclohex-3-ene-1,2-diamine
IUPAC NAME: (2S,6S)-2-N,2-N-dimethyl-6-naphthalen-2-ylcyclohex-3-ene-1,2-diamine
SYSTEMATIC NAME: (2S,6S)-N2,N2-dimethyl-6-naphthalen-2-yl-cyclohex-3-ene-1,2-diamine
MOLECULAR FORMULA: C18H22N2
MOLECULAR WEIGHT: 266.38068
SMILES: CN(C)[C@H]1C=CC[C@H](C1N)C2=CC3=CC=CC=C3C=C2
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Product OPENEYE NAME: 2-(3,4-dimethoxyphenyl)-N-[(2S,6S)-6-(3,4-dimethoxyphenyl)-2-(dimethylamino)cyclohex-3-en-1-yl]acetamide
CAS Name: 2-(3,4-dimethoxyphenyl)-N-[(2S,6S)-6-(3,4-dimethoxyphenyl)-2-(dimethylamino)-1-cyclohex-3-enyl]acetamide
IUPAC NAME: 2-(3,4-dimethoxyphenyl)-N-[(2S,6S)-6-(3,4-dimethoxyphenyl)-2-(dimethylamino)cyclohex-3-en-1-yl]acetamide
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)-N-[(2S,6S)-6-(3,4-dimethoxyphenyl)-2-(dimethylamino)cyclohex-3-en-1-yl]ethanamide
MOLECULAR FORMULA: C26H34N2O5
MOLECULAR WEIGHT: 454.55856
SMILES: CN(C)[C@H]1C=CC[C@H](C1NC(=O)CC2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC
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Product OPENEYE NAME: 7-[2-(cyanomethyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid
CAS Name: 7-[2-(cyanomethyl)-1-piperazinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid
IUPAC NAME: 7-[2-(cyanomethyl)piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 7-[2-(cyanomethyl)piperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C19H19FN4O3
MOLECULAR WEIGHT: 370.377563
SMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4CC#N)F)C(=O)O
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Product OPENEYE NAME: 1-chloroethyl 3-(cyanomethyl)-4-methyl-piperazine-1-carboxylate
CAS Name: 3-(cyanomethyl)-4-methyl-1-piperazinecarboxylic acid 1-chloroethyl ester
IUPAC NAME: 1-chloroethyl 3-(cyanomethyl)-4-methylpiperazine-1-carboxylate
SYSTEMATIC NAME: 1-chloroethyl 3-(cyanomethyl)-4-methyl-piperazine-1-carboxylate
MOLECULAR FORMULA: C10H16ClN3O2
MOLECULAR WEIGHT: 245.70594
SMILES: CC(OC(=O)N1CCN(C(C1)CC#N)C)Cl
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Product OPENEYE NAME: 1-chloroethyl 4-benzyl-3-(cyanomethyl)piperazine-1-carboxylate
CAS Name: 3-(cyanomethyl)-4-(phenylmethyl)-1-piperazinecarboxylic acid 1-chloroethyl ester
IUPAC NAME: 1-chloroethyl 4-benzyl-3-(cyanomethyl)piperazine-1-carboxylate
SYSTEMATIC NAME: 1-chloroethyl 3-(cyanomethyl)-4-(phenylmethyl)piperazine-1-carboxylate
MOLECULAR FORMULA: C16H20ClN3O2
MOLECULAR WEIGHT: 321.8019
SMILES: CC(OC(=O)N1CCN(C(C1)CC#N)CC2=CC=CC=C2)Cl
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Product OPENEYE NAME: bis(1-chloroethyl) 2-(cyanomethyl)piperazine-1,4-dicarboxylate
CAS Name: 2-(cyanomethyl)piperazine-1,4-dicarboxylic acid bis(1-chloroethyl) ester
IUPAC NAME: bis(1-chloroethyl) 2-(cyanomethyl)piperazine-1,4-dicarboxylate
SYSTEMATIC NAME: bis(1-chloroethyl) 2-(cyanomethyl)piperazine-1,4-dicarboxylate
MOLECULAR FORMULA: C12H17Cl2N3O4
MOLECULAR WEIGHT: 338.18708
SMILES: CC(OC(=O)N1CCN(C(C1)CC#N)C(=O)OC(C)Cl)Cl
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Product OPENEYE NAME: ethyl (Z)-2-cyano-3-(2,3-dihydro-[1,4]dioxino[2,3-b]quinoxalin-7-ylamino)prop-2-enoate
CAS Name: (Z)-2-cyano-3-(2,3-dihydro-[1,4]dioxino[2,3-b]quinoxalin-7-ylamino)-2-propenoic acid ethyl ester
IUPAC NAME: ethyl (Z)-2-cyano-3-(2,3-dihydro-[1,4]dioxino[2,3-b]quinoxalin-7-ylamino)prop-2-enoate
SYSTEMATIC NAME: ethyl (Z)-2-cyano-3-(2,3-dihydro-[1,4]dioxino[2,3-b]quinoxalin-7-ylamino)prop-2-enoate
MOLECULAR FORMULA: C16H14N4O4
MOLECULAR WEIGHT: 326.30676
SMILES: CCOC(=O)/C(=C\NC1=CC2=C(C=C1)N=C3C(=N2)OCCO3)/C#N
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Product OPENEYE NAME: 7,10-dichloro-[1,3]dioxolo[4,5-b]acridine
CAS Name: 7,10-dichloro-[1,3]dioxolo[4,5-b]acridine
IUPAC NAME: 7,10-dichloro-[1,3]dioxolo[4,5-b]acridine
SYSTEMATIC NAME: 7,10-bis(chloranyl)-[1,3]dioxolo[4,5-b]acridine
MOLECULAR FORMULA: C14H7Cl2NO2
MOLECULAR WEIGHT: 292.11688
SMILES: C1OC2=C(O1)C=C3C(=C2)C(=C4C=CC(=CC4=N3)Cl)Cl
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Product OPENEYE NAME: 10-chloro-6-methyl-[1,3]dioxolo[4,5-b]acridine
CAS Name: 10-chloro-6-methyl-[1,3]dioxolo[4,5-b]acridine
IUPAC NAME: 10-chloro-6-methyl-[1,3]dioxolo[4,5-b]acridine
SYSTEMATIC NAME: 10-chloranyl-6-methyl-[1,3]dioxolo[4,5-b]acridine
MOLECULAR FORMULA: C15H10ClNO2
MOLECULAR WEIGHT: 271.6984
SMILES: CC1=CC=CC2=C(C3=CC4=C(C=C3N=C12)OCO4)Cl
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Product OPENEYE NAME: 10-chloro-7-methyl-[1,3]dioxolo[4,5-b]acridine
CAS Name: 10-chloro-7-methyl-[1,3]dioxolo[4,5-b]acridine
IUPAC NAME: 10-chloro-7-methyl-[1,3]dioxolo[4,5-b]acridine
SYSTEMATIC NAME: 10-chloranyl-7-methyl-[1,3]dioxolo[4,5-b]acridine
MOLECULAR FORMULA: C15H10ClNO2
MOLECULAR WEIGHT: 271.6984
SMILES: CC1=CC2=NC3=CC4=C(C=C3C(=C2C=C1)Cl)OCO4
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Product OPENEYE NAME: 10-chloro-8-methyl-[1,3]dioxolo[4,5-b]acridine
CAS Name: 10-chloro-8-methyl-[1,3]dioxolo[4,5-b]acridine
IUPAC NAME: 10-chloro-8-methyl-[1,3]dioxolo[4,5-b]acridine
SYSTEMATIC NAME: 10-chloranyl-8-methyl-[1,3]dioxolo[4,5-b]acridine
MOLECULAR FORMULA: C15H10ClNO2
MOLECULAR WEIGHT: 271.6984
SMILES: CC1=CC2=C(C3=CC4=C(C=C3N=C2C=C1)OCO4)Cl
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Product OPENEYE NAME: 8,10-dichloro-[1,3]dioxolo[4,5-b]acridine
CAS Name: 8,10-dichloro-[1,3]dioxolo[4,5-b]acridine
IUPAC NAME: 8,10-dichloro-[1,3]dioxolo[4,5-b]acridine
SYSTEMATIC NAME: 8,10-bis(chloranyl)-[1,3]dioxolo[4,5-b]acridine
MOLECULAR FORMULA: C14H7Cl2NO2
MOLECULAR WEIGHT: 292.11688
SMILES: C1OC2=C(O1)C=C3C(=C2)C(=C4C=C(C=CC4=N3)Cl)Cl
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Product OPENEYE NAME: 6,10-dichloro-[1,3]dioxolo[4,5-b]acridine
CAS Name: 6,10-dichloro-[1,3]dioxolo[4,5-b]acridine
IUPAC NAME: 6,10-dichloro-[1,3]dioxolo[4,5-b]acridine
SYSTEMATIC NAME: 6,10-bis(chloranyl)-[1,3]dioxolo[4,5-b]acridine
MOLECULAR FORMULA: C14H7Cl2NO2
MOLECULAR WEIGHT: 292.11688
SMILES: C1OC2=C(O1)C=C3C(=C2)C(=C4C=CC=C(C4=N3)Cl)Cl
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Product OPENEYE NAME: 10-chloro-6-methoxy-[1,3]dioxolo[4,5-b]acridine
CAS Name: 10-chloro-6-methoxy-[1,3]dioxolo[4,5-b]acridine
IUPAC NAME: 10-chloro-6-methoxy-[1,3]dioxolo[4,5-b]acridine
SYSTEMATIC NAME: 10-chloranyl-6-methoxy-[1,3]dioxolo[4,5-b]acridine
MOLECULAR FORMULA: C15H10ClNO3
MOLECULAR WEIGHT: 287.6978
SMILES: COC1=CC=CC2=C(C3=CC4=C(C=C3N=C21)OCO4)Cl
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Product OPENEYE NAME: 10-chloro-8-methoxy-[1,3]dioxolo[4,5-b]acridine
CAS Name: 10-chloro-8-methoxy-[1,3]dioxolo[4,5-b]acridine
IUPAC NAME: 10-chloro-8-methoxy-[1,3]dioxolo[4,5-b]acridine
SYSTEMATIC NAME: 10-chloranyl-8-methoxy-[1,3]dioxolo[4,5-b]acridine
MOLECULAR FORMULA: C15H10ClNO3
MOLECULAR WEIGHT: 287.6978
SMILES: COC1=CC2=C(C3=CC4=C(C=C3N=C2C=C1)OCO4)Cl
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Product OPENEYE NAME: 10-chloro-7-methoxy-[1,3]dioxolo[4,5-b]acridine
CAS Name: 10-chloro-7-methoxy-[1,3]dioxolo[4,5-b]acridine
IUPAC NAME: 10-chloro-7-methoxy-[1,3]dioxolo[4,5-b]acridine
SYSTEMATIC NAME: 10-chloranyl-7-methoxy-[1,3]dioxolo[4,5-b]acridine
MOLECULAR FORMULA: C15H10ClNO3
MOLECULAR WEIGHT: 287.6978
SMILES: COC1=CC2=NC3=CC4=C(C=C3C(=C2C=C1)Cl)OCO4
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Product OPENEYE NAME: 2-(3H-indol-3-yl)acetonitrile
CAS Name: 2-(3H-indol-3-yl)acetonitrile
IUPAC NAME: 2-(3H-indol-3-yl)acetonitrile
SYSTEMATIC NAME: 2-(3H-indol-3-yl)ethanenitrile
MOLECULAR FORMULA: C10H8N2
MOLECULAR WEIGHT: 156.18392
SMILES: C1=CC=C2C(=C1)C(C=N2)CC#N
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Product OPENEYE NAME: 3-chloropyridazine-4-carboxylic acid
CAS Name: 3-chloro-4-pyridazinecarboxylic acid
IUPAC NAME: 3-chloropyridazine-4-carboxylic acid
SYSTEMATIC NAME: 3-chloranylpyridazine-4-carboxylic acid
MOLECULAR FORMULA: C5H3ClN2O2
MOLECULAR WEIGHT: 158.54252
SMILES: C1=CN=NC(=C1C(=O)O)Cl
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Product OPENEYE NAME: 3H-indole-3-carbonitrile
CAS Name: 3H-indole-3-carbonitrile
IUPAC NAME: 3H-indole-3-carbonitrile
SYSTEMATIC NAME: 3H-indole-3-carbonitrile
MOLECULAR FORMULA: C9H6N2
MOLECULAR WEIGHT: 142.15734
SMILES: C1=CC=C2C(=C1)C(C=N2)C#N
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