CAS RN: 74804-05-0
CAS Name: bis(2-pyridinyl)methanone hydrazone
OPENEYE Name: bis(2-pyridyl)methanone hydrazone
IUPAC Name: dipyridin-2-ylmethylidenehydrazine
SYSTEMATIC NAME: dipyridin-2-ylmethylidenediazane
MOLECULAR FORMULA: C11H10N4
MOLECULAR WEIGHT: 198.2239
SMILES: C1=CC=NC(=C1)C(=NN)C2=CC=CC=N2
Structure:
CAS RN: 24346-56-3
CAS Name: 2-benzoylbutanoic acid ethyl ester
OPENEYE Name: ethyl 2-benzoylbutanoate
IUPAC Name: ethyl 2-benzoylbutanoate
SYSTEMATIC NAME: ethyl 2-(phenylcarbonyl)butanoate
MOLECULAR FORMULA: C13H16O3
MOLECULAR WEIGHT: 220.26434
SMILES: CCC(C(=O)C1=CC=CC=C1)C(=O)OCC
Structure:
CAS RN: 75574-69-5
CAS Name: 2-benzoyl-3,3-dimethylbutanoic acid ethyl ester
OPENEYE Name: ethyl 2-benzoyl-3,3-dimethyl-butanoate
IUPAC Name: ethyl 2-benzoyl-3,3-dimethylbutanoate
SYSTEMATIC NAME: ethyl 3,3-dimethyl-2-(phenylcarbonyl)butanoate
MOLECULAR FORMULA: C15H20O3
MOLECULAR WEIGHT: 248.3175
SMILES: CCOC(=O)C(C(=O)C1=CC=CC=C1)C(C)(C)C
Structure:
CAS RN: 21690-27-7
CAS Name: 3-[hydroxy(phenyl)methyl]-2-oxolanone
OPENEYE Name: 3-[hydroxy(phenyl)methyl]tetrahydrofuran-2-one
IUPAC Name: 3-[hydroxy(phenyl)methyl]oxolan-2-one
SYSTEMATIC NAME: 3-[oxidanyl(phenyl)methyl]oxolan-2-one
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: C1COC(=O)C1C(C2=CC=CC=C2)O
Structure:
CAS RN: 3951-95-9
CAS Name: 4-bromo-2H-isoquinolin-1-one
OPENEYE Name: 4-bromo-2H-isoquinolin-1-one
IUPAC Name: 4-bromo-2H-isoquinolin-1-one
SYSTEMATIC NAME: 4-bromanyl-2H-isoquinolin-1-one
MOLECULAR FORMULA: C9H6BrNO
MOLECULAR WEIGHT: 224.05404
SMILES: C1=CC=C2C(=C1)C(=CNC2=O)Br
Structure:
CAS RN: 27302-13-2
CAS Name: 2-(1-isoquinolinyl)-2-phenylacetonitrile
OPENEYE Name: 2-(1-isoquinolyl)-2-phenyl-acetonitrile
IUPAC Name: 2-isoquinolin-1-yl-2-phenylacetonitrile
SYSTEMATIC NAME: 2-isoquinolin-1-yl-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C17H12N2
MOLECULAR WEIGHT: 244.29058
SMILES: C1=CC=C(C=C1)C(C#N)C2=NC=CC3=CC=CC=C32
Structure:
CAS RN: 62370-80-3
CAS Name: benzoic acid [4-(1-isoquinolinyl)-1-(phenylmethyl)-4-piperidinyl] ester
OPENEYE Name: [1-benzyl-4-(1-isoquinolyl)-4-piperidyl] benzoate
IUPAC Name: (1-benzyl-4-isoquinolin-1-ylpiperidin-4-yl) benzoate
SYSTEMATIC NAME: [4-isoquinolin-1-yl-1-(phenylmethyl)piperidin-4-yl] benzoate
MOLECULAR FORMULA: C28H26N2O2
MOLECULAR WEIGHT: 422.51824
SMILES: C1CN(CCC1(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4)CC5=CC=CC=C5
Structure:
CAS RN: 62370-78-9
CAS Name: benzoic acid [4-(1-isoquinolinyl)-1-(2-phenylethyl)-4-piperidinyl] ester
OPENEYE Name: [4-(1-isoquinolyl)-1-(2-phenylethyl)-4-piperidyl] benzoate
IUPAC Name: [4-isoquinolin-1-yl-1-(2-phenylethyl)piperidin-4-yl] benzoate
SYSTEMATIC NAME: [4-isoquinolin-1-yl-1-(2-phenylethyl)piperidin-4-yl] benzoate
MOLECULAR FORMULA: C29H28N2O2
MOLECULAR WEIGHT: 436.54482
SMILES: C1CN(CCC1(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4)CCC5=CC=CC=C5
Structure:
CAS RN: 62370-83-6
CAS Name: benzoic acid [4-(6,7-dimethoxy-1-isoquinolinyl)-1-(2-phenylethyl)-4-piperidinyl] ester
OPENEYE Name: [4-(6,7-dimethoxy-1-isoquinolyl)-1-(2-phenylethyl)-4-piperidyl] benzoate
IUPAC Name: [4-(6,7-dimethoxyisoquinolin-1-yl)-1-(2-phenylethyl)piperidin-4-yl] benzoate
SYSTEMATIC NAME: [4-(6,7-dimethoxyisoquinolin-1-yl)-1-(2-phenylethyl)piperidin-4-yl] benzoate
MOLECULAR FORMULA: C31H32N2O4
MOLECULAR WEIGHT: 496.59678
SMILES: COC1=C(C=C2C(=C1)C=CN=C2C3(CCN(CC3)CCC4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC
Structure:
CAS RN: 62370-79-0
CAS Name: 4-(1-isoquinolinyl)-1-(2-phenylethyl)-4-piperidinol
OPENEYE Name: 4-(1-isoquinolyl)-1-(2-phenylethyl)piperidin-4-ol
IUPAC Name: 4-isoquinolin-1-yl-1-(2-phenylethyl)piperidin-4-ol
SYSTEMATIC NAME: 4-isoquinolin-1-yl-1-(2-phenylethyl)piperidin-4-ol
MOLECULAR FORMULA: C22H24N2O
MOLECULAR WEIGHT: 332.43876
SMILES: C1CN(CCC1(C2=NC=CC3=CC=CC=C32)O)CCC4=CC=CC=C4
Structure:
CAS RN: 89128-08-5
CAS Name: 3-(2-methyl-4-nitro-1-imidazolyl)propanenitrile
OPENEYE Name: 3-(2-methyl-4-nitro-imidazol-1-yl)propanenitrile
IUPAC Name: 3-(2-methyl-4-nitroimidazol-1-yl)propanenitrile
SYSTEMATIC NAME: 3-(2-methyl-4-nitro-imidazol-1-yl)propanenitrile
MOLECULAR FORMULA: C7H8N4O2
MOLECULAR WEIGHT: 180.16402
SMILES: CC1=NC(=CN1CCC#N)[N+](=O)[O-]
Structure:
CAS RN: 64757-26-2
CAS Name: thiocyanic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester
OPENEYE Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl thiocyanate
IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl thiocyanate
SYSTEMATIC NAME: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl thiocyanate
MOLECULAR FORMULA: C7H8N4O2S
MOLECULAR WEIGHT: 212.22902
SMILES: CC1=NC=C(N1CCSC#N)[N+](=O)[O-]
Structure:
CAS RN: 65321-74-6
CAS Name: N,N-bis(2-chloroethyl)-3,5-bis(4-methoxyphenyl)-5-oxopentanamide
OPENEYE Name: N,N-bis(2-chloroethyl)-3,5-bis(4-methoxyphenyl)-5-oxo-pentanamide
IUPAC Name: N,N-bis(2-chloroethyl)-3,5-bis(4-methoxyphenyl)-5-oxopentanamide
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-3,5-bis(4-methoxyphenyl)-5-oxidanylidene-pentanamide
MOLECULAR FORMULA: C23H27Cl2NO4
MOLECULAR WEIGHT: 452.37078
SMILES: COC1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)OC)CC(=O)N(CCCl)CCCl
Structure:
CAS RN: 65321-78-0
CAS Name: N,N-bis(2-chloroethyl)-3,5-bis(4-methoxyphenyl)pentanamide
OPENEYE Name: N,N-bis(2-chloroethyl)-3,5-bis(4-methoxyphenyl)pentanamide
IUPAC Name: N,N-bis(2-chloroethyl)-3,5-bis(4-methoxyphenyl)pentanamide
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-3,5-bis(4-methoxyphenyl)pentanamide
MOLECULAR FORMULA: C23H29Cl2NO3
MOLECULAR WEIGHT: 438.38726
SMILES: COC1=CC=C(C=C1)CCC(CC(=O)N(CCCl)CCCl)C2=CC=C(C=C2)OC
Structure:
CAS RN: 64157-43-3
CAS Name: N-[4-[4-[bis(2-chloroethyl)amino]phenyl]-3-isoquinolinyl]acetamide
OPENEYE Name: N-[4-[4-[bis(2-chloroethyl)amino]phenyl]-3-isoquinolyl]acetamide
IUPAC Name: N-[4-[4-[bis(2-chloroethyl)amino]phenyl]isoquinolin-3-yl]acetamide
SYSTEMATIC NAME: N-[4-[4-[bis(2-chloroethyl)amino]phenyl]isoquinolin-3-yl]ethanamide
MOLECULAR FORMULA: C21H21Cl2N3O
MOLECULAR WEIGHT: 402.31694
SMILES: CC(=O)NC1=C(C2=CC=CC=C2C=N1)C3=CC=C(C=C3)N(CCCl)CCCl
Structure:
CAS RN: 63710-10-1
CAS Name: (1R,2R,4S)-4-[[5-[[5-[(4,5-dihydroxy-6-methyl-2-oxanyl)oxy]-4-hydroxy-6-methyl-2-oxanyl]oxy]-4-(dimethylamino)-6-methyl-2-oxanyl]oxy]-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylic acid methyl ester
OPENEYE Name: methyl (1R,2R,4S)-4-[5-[5-(4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
IUPAC Name: methyl (1R,2R,4S)-4-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
SYSTEMATIC NAME: methyl (1R,2R,4S)-4-[4-(dimethylamino)-6-methyl-5-[6-methyl-5-[6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-oxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrakis(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-1-carboxylate
MOLECULAR FORMULA: C42H55NO17
MOLECULAR WEIGHT: 845.8826
SMILES: CC[C@]1(C[C@@H](C2=C([C@H]1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)O)O)N(C)C)O
Structure:
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